Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMR-spectroscopy (Q40766113)

23 September 2017

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title

Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMR-spectroscopy (English)

1 reference

23 September 2017

X-ray crystallography

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macromolecular structure

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1

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23 September 2017

Nilges M

2

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PubMed ID

8210313

23 September 2017

language of work or name

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1 February 1993

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Quarterly Reviews of Biophysics

23 September 2017

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23 September 2017

26

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23 September 2017

49-125

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23 September 2017

1

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The solution structure of eglin c based on measurements of many NOEs and coupling constants and its comparison with X‐ray structures

23 September 2017

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Rigid protein motion as a model for crystallographic temperature factors

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Stereospecific assignments of side-chain protons and characterization of torsion angles in Eglin c.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Nuclear magnetic resonance solution and X-ray structures of squash trypsin inhibitor exhibit the same conformation of the proteinase binding loop.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Improved strategies for the determination of protein structures from NMR data: the solution structure of acyl carrier protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Three-dimensional structure of acyl carrier protein determined by NMR pseudoenergy and distance geometry calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structure determination of a DNA octamer in solution by NMR spectroscopy. Effect of fast local motions

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystal structure at 3.5 A resolution of HIV-1 reverse transcriptase complexed with an inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of the complete three-dimensional structure of the alpha-amylase inhibitor tendamistat in aqueous solution by nuclear magnetic resonance and distance geometry

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

A novel, highly stable fold of the immunoglobulin binding domain of streptococcal protein G

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

High-resolution three-dimensional structure of interleukin 1 beta in solution by three- and four-dimensional nuclear magnetic resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Analysis of the backbone dynamics of interleukin-1 beta using two-dimensional inverse detected heteronuclear 15N-1H NMR spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Optimization by Simulated Annealing

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Refinement of the NMR structures for acyl carrier protein with scalar coupling data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

A dynamic model for the structure of acyl carrier protein in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of macromolecular structures from anomalous diffraction of synchrotron radiation

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

An evaluation of the combined use of nuclear magnetic resonance and distance geometry for the determination of protein conformations in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

An evaluation of computational strategies for use in the determination of protein structure from distance constraints obtained by nuclear magnetic resonance.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

The sampling properties of some distance geometry algorithms applied to unconstrained polypeptide chains: a study of 1830 independently computed conformations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structure of Arc repressor in solution: evidence for a family of beta-sheet DNA-binding proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Calculation of protein conformations by proton-proton distance constraints. A new efficient algorithm

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystal structure of a chimeric Fab' fragment of an antibody binding tumour cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

A Method to Identify Protein Sequences That Fold into a Known Three-Dimensional Structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Direct NOE refinement of biomolecular structures using 2D NMR data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of a high-quality nuclear magnetic resonance solution structure of the bovine pancreatic trypsin inhibitor and comparison with three crystal structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Some applications of the phased translation function in macromolecular structure determination

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution conformation of purine-pyrimidine DNA octamers using nuclear magnetic resonance, restrained molecular dynamics and NOE-based refinement

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystal structure of interleukin 8: symbiosis of NMR and crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Uniqueness and the ab initio phase problem in macromolecular crystallography.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Water structure in cubic insulin crystals

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Homonuclear three-dimensional NOE-NOE nuclear magnetic resonance/spectra for structure determination of proteins in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Different length peptides bind to HLA-Aw68 similarly at their ends but bulge out in the middle

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Application of molecular dynamics with interproton distance restraints to three-dimensional protein structure determination. A model study of crambin

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution conformation of a heptadecapeptide comprising the DNA binding helix F of the cyclic AMP receptor protein of Escherichia coli. Combined use of 1H nuclear magnetic resonance and restrained molecular dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Relationship between electrostatics and redox function in human thioredoxin: characterization of pH titration shifts using two-dimensional homo- and heteronuclear NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Two-, three-, and four-dimensional NMR methods for obtaining larger and more precise three-dimensional structures of proteins in solution.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structures of larger proteins in solution: three- and four-dimensional heteronuclear NMR spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of three-dimensional structures of proteins and nucleic acids in solution by nuclear magnetic resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Refinement of the NMR solution structure of a protein to remove distortions arising from neglect of internal motion

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Accurate bond and angle parameters for X-ray protein structure refinement

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solvation energy in protein folding and binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Computational experience with an algorithm for tetrangle inequality bound smoothing.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

One thousand families for the molecular biologist

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Protein model structure evaluation using the solvation free energy of folding

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Use of restrained molecular dynamics in water to determine three-dimensional protein structure: prediction of the three-dimensional structure of Ecballium elaterium trypsin inhibitor II

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Ab initiophase determination for spherical viruses: parameter determination for spherical-shell models

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystal structure of an active form of RAS protein, a complex of a GTP analog and the HRAS p21 catalytic domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

On the use of normal modes in thermal parameter refinement: theory and application to the bovine pancreatic trypsin inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

14 Combined procedures of distance geometry and molecular dynamics for determining protein structure from nuclear magnetic resonance data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

An NMR-based molecular dynamics simulation of the interaction of the lac repressor headpiece and its operator in aqueous solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Combined procedure of distance geometry and restrained molecular dynamics techniques for protein structure determination from nuclear magnetic resonance data: application to the DNA binding domain of lac repressor from Escherichia coli

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Heavy-atom refinement against solvent-flattened phases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Heuristic refinement method for determination of solution structure of proteins from nuclear magnetic resonance data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Method for obtaining a high resolution protein map starting from a low resolution map

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

New methodology for computer-aided modelling of biomolecular structure and dynamics. 2. Local deformations and cycles

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Intensity-based domain refinement of oriented but unpositioned molecular replacement models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Toward a Dynamical Structure of DNA: Comparison of Theoretical and Experimental NOE Intensities

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

X-ray crystallographic analysis of free and antigen-complexed Fab fragments to investigate structural basis of immune recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

NMR analysis of helix I from the 5S RNA of Escherichia coli

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution conformations of human growth hormone releasing factor: comparison of the restrained molecular dynamics and distance geometry methods for a system without long-range distance data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution of a protein crystal structure with a model obtained from NMR interproton distance restraints

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystallographic R factor refinement by molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Free R value: a novel statistical quantity for assessing the accuracy of crystal structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution of a Fab (26-10)/digoxin complex by generalized molecular replacement

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystallographic refinement by simulated annealing. Application to a 2.8 A resolution structure of aspartate aminotransferase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Heuristic refinement method for the derivation of protein solution structures: validation on cytochrome b562.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Resolution of phase ambiguity in macromolecular crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Conformational search by potential energy annealing: algorithm and application to cyclosporin A.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Ab initio phase determination for viruses with high symmetry: a feasibility study

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Conjugate-direction minimization: an improved method for the refinement of macromolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Molecular dynamics simulation techniques for determination of molecular structures from nuclear magnetic resonance data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

The detection of sub-units within the crystallographic asymmetric unit

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Time-averaged nuclear Overhauser effect distance restraints applied to tendamistat

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Protein solution structure determination using distances from two-dimensional nuclear Overhauser effect experiments: effect of approximations on the accuracy of derived structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Fitting electron density by systematic search.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Conformation of Polypeptides and Proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

High-resolution structure of an HIV zinc fingerlike domain via a new NMR-based distance geometry approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Low-resolution real-space envelopes: an approach to the ab initio macromolecular phase problem

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Hydrogen bonding in globular proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Relaxation Processes in a System of Two Spins

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Human interleukin 4. The solution structure of a four-helix bundle protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Three-dimensional solution structure of human interleukin-4 by multidimensional heteronuclear magnetic resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Improving crystallographic macromolecular images: the real-space approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structure and refinement of oxymyoglobin at 1.6 A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Are time-averaged restraints necessary for nuclear magnetic resonance refinement? A model study for DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution structures of the rabbit neutrophil defensin NP-5.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Ab initiophase determination for X-ray diffraction data from crystals of a native protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Phase annealing in SHELX-90: direct methods for larger structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Calibration of the angular dependence of the amide proton-C alpha proton coupling constants, 3JHN alpha, in a globular protein. Use of 3JHN alpha for identification of helical secondary structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structure refinement of oligonucleotides by molecular dynamics with nuclear Overhauser effect interproton distance restraints: application to 5' d(C-G-T-A-C-G)2.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Relaxation matrix refinement of the solution structure of squash trypsin inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

1H-NMR stereospecific assignments by conformational data-base searches

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of three-dimensional structures of proteins from interproton distance data by dynamical simulated annealing from a random array of atoms. Circumventing problems associated with folding

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of three-dimensional structures of proteins by simulated annealing with interproton distance restraints. Application to crambin, potato carboxypeptidase inhibitor and barley serine proteinase inhibitor 2.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Determination of three-dimensional structures of proteins from interproton distance data by hybrid distance geometry-dynamical simulated annealing calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution structure of the EcoRI DNA sequence: refinement of NMR-derived distance geometry structures by NOESY spectrum back-calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystal structure of a Src-homology 3 (SH3) domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Stereochemical quality of protein structure coordinates

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Limited sampling of conformational space by the distance geometry algorithm: implications for structures generated from NMR data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Equation of State Calculations by Fast Computing Machines

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Complete relaxation matrix refinement of NMR structures of proteins using analytically calculated dihedral angle derivatives of NOE intensities

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

New methodology for computer-aided modelling of biomolecular structure and dynamics. 1. Non-cyclic structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solvent content of protein crystals

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Reconstruction of NOESY maps. A requirement for a reliable conformational analysis of biomolecules using 2D NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Assessment of protein models with three-dimensional profiles

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Normal mode refinement: crystallographic refinement of protein dynamic structure applied to human lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Validation of the first step of the heuristic refinement method for the derivation of solution structures of proteins from NMR data

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Refinement of protein dynamic structure: normal mode refinement

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution structures of proteins from NMR data and modeling: alternative folds for neutrophil peptide 5.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Backbone dynamics of proteins as studied by 15N inverse detected heteronuclear NMR spectroscopy: application to staphylococcal nuclease

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Molecular dynamics simulations in biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Protein folding by restrained energy minimization and molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Protein dynamics and distance determination by NOE measurements.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution structure of the Trp operator of Escherichia coli determined by NMR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystal structure of a soluble form of the human T cell coreceptor CD8 at 2.6 A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystallization of an anti-2,2,6,6-tetramethyl-1-piperidinyloxy-dinitrophenyl monoclonal antibody Fab fragment with and without bound hapten

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Direct calculation of atomic coordinates from diffraction intensities: space group P1.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Diffraction methods for biological macromolecules. Use of the rotation and translation functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

A protein structure from nuclear magnetic resonance data. lac repressor headpiece

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Improved methods for building protein models in electron density maps and the location of errors in these models

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structure and refinement of penicillopepsin at 1.8 Å resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution structure of a calmodulin-target peptide complex by multidimensional NMR

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Sampling and efficiency of metric matrix distance geometry: a novel partial metrization algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Direct methods – from birth to maturity

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

The phases and magnitudes of the structure factors

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

The squaring method: a new method for phase determination

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

A phased translation function

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Improved Fourier coefficients for maps using phases from partial structures with errors

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Segmented anisotropic refinement of bovine ribonuclease A by the application of the rigid-body TLS model

21 January 2018

2 references

https://api.crossref.org/works/10.1017%2FS0033583500003966

21 January 2018

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Generalized descent for global optimization

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Three-dimensional structure of an angiotensin II-Fab complex at 3 A: hormone recognition by an anti-idiotypic antibody

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

A structure-factor least-squares refinement procedure for macromolecular structures using constrainedandrestrained parameters

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Solution structure of a polypeptide dimer comprising the fourth calcium-binding site of troponin C by nuclear magnetic resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Exploration of disorder in protein structures by X-ray restrained molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

X-ray refinement of protein structures by simulated annealing: test of the method on myohemerythrin

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Analysis of the relative contributions of the nuclear Overhauser interproton distance restraints and the empirical energy function in the calculation of oligonucleotide structures using restrained molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Deviations from the simple two-parameter model-free approach to the interpretation of nitrogen-15 nuclear magnetic relaxation of proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Three-dimensional structure of potato carboxypeptidase inhibitor in solution. A study using nuclear magnetic resonance, distance geometry, and restrained molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

1 H NMR assignments of sidechain conformations in proteins using a high-dimensional potential in the simulated annealing calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Comparison of the solution nuclear magnetic resonance and X-ray crystal structures of human recombinant interleukin-1β

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Comparison of the solution nuclear magnetic resonance and crystal structures of interleukin-8

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

The influence of stereospecific assignments on the determination of three-dimensional structures of proteins by nuclear magnetic resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Loop mobility in a four-helix-bundle protein: nitrogen-15 NMR relaxation measurements on human interleukin-4

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Proton, nitrogen-15, carbon-13, carbon-13 monoxide assignments of human interleukin-4 using three-dimensional double- and triple-resonance heteronuclear magnetic resonance spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Electron density images from imperfect data by iterative entropy maximization

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Between objectivity and subjectivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

New optimization methods from physics and biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Crystal structure of staphylococcal enterotoxin B, a superantigen

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

Structure of ribonuclease A: results of joint neutron and X-ray refinement at 2.0-A resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Structure refinement using time-averaged J-coupling constant restraints.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Empirical correlation between protein backbone conformation and C.alpha. and C.beta. 13C nuclear magnetic resonance chemical shifts

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Improving multiple isomorphous replacement phasing by heavy-atom refinement using solvent-flattened phases

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Crystal structure of a human immunodeficiency virus type 1 neutralizing antibody, 50.1, in complex with its V3 loop peptide antigen

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Internal motional averaging and three-dimensional structure determination by nuclear magnetic resonance

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Distance geometry and related methods for protein structure determination from NMR data

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Comparison of the high-resolution structures of the alpha-amylase inhibitor tendamistat determined by nuclear magnetic resonance in solution and by X-ray diffraction in single crystals

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Comparison of experimentally determined protein structures by solution of Bloch equations.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Solution structure of the cyclosporin A/cyclophilin complex by NMR

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Three-dimensional solution structure of a DNA duplex containing the BclI restriction sequence: two-dimensional NMR studies, distance geometry calculations, and refinement by back-calculation of the NOESY spectrum

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Stereochemically restrained refinement of macromolecular structures

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Pseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton-proton distance constraints with nuclear magnetic resonance

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Canonical structures for the hypervariable regions of immunoglobulins

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Comparison of protein structures determined by NMR in solution and by X-ray diffraction in single crystals

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

New strategies for the determination of macromolecular structure in solution

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

A simple spectral-driven procedure for the refinement of DNA structures by NMR spectroscopy

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

The three-dimensional structure of alpha1-purothionin in solution: combined use of nuclear magnetic resonance, distance geometry and restrained molecular dynamics

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Criteria that discriminate between native proteins and incorrectly folded models

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Solution of the phase problem in the X-ray diffraction method for proteins with the nuclear magnetic resonance solution structure as initial model. Patterson search and refinement for the alpha-amylase inhibitor tendamistat

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

NMR structural refinement of an extrahelical adenosine tridecamer d(CGCAGAATTCGCG)2 via a hybrid relaxation matrix procedure

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

2D NMR studies and 3D structure of the parallel-stranded duplex oligonucleotide Acrm5-alpha-d(TCTAAACTC)-beta-d(AGATTTGAG) via complete relaxation matrix analysis of the NOE effects and molecular mechanics calculations

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

The use of molecular-replacement phases for the refinement of the human rhinovirus 14 structure

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

On the application of the minimal principle to solve unknown structures.

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Direct phase determination for the molecular envelope of tryptophanyl-tRNA synthetase from Bacillus stearothermophilus by X-ray contrast variation

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Effect of anisotropy and anharmonicity on protein crystallographic refinement. An evaluation by molecular dynamics

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Mapping of the spectral densities of N-H bond motions in eglin c using heteronuclear relaxation experiments

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Internal vibrations of a molecule consisting of rigid segments. I. Non-interacting internal vibrations

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

The application of the molecular replacement method to thede novodetermination of protein structure

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

It's déjà vu all over again

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

A multisolution method of phase determination by combined maximization of entropy and likelihood. V. The use of likelihood as a discriminator of phase sets produced by the SAYTAN program for a small protein

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Computer skeletonization and automatic electron density map analysis

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Inclusion of thermal motion in crystallographic structures by restrained molecular dynamics

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Internal motion of proteins: nuclear magnetic resonance measurements and dynamic simulations

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Three-dimensional structure at 0.86 A of the uncomplexed form of the transmembrane ion channel peptide gramicidin A

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Determining stereo-specific 1H nuclear magnetic resonance assignments from distance geometry calculations

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Are there pathways for protein folding?

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

Refinement of the structure of carp muscle calcium-binding parvalbumin by model building and difference fourier analysis

1 reference

https://api.crossref.org/works/10.1017%2FS0033583500003966

7 January 2021

The treatment of errors in the isomorphous replacement method

1 reference

19 October 2022

https://opencitations.net/index/coci/api/v1/citations/10.1107/S0365110X59002274

Systematic analysis of structural data as a research technique in organic chemistry

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/AR00089A001

10.1017/S0033583500003966

5 March 2023

Identifiers

DOI

1 reference

23 September 2017

1 reference

PubMed ID

8210313