New applications of simulated annealing in X-ray crystallography and solution NMR. (Q41398215)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9083112%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

title

New applications of simulated annealing in X-ray crystallography and solution NMR (English)

1 reference

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2 November 2019

main subject

X-ray crystallography

0 references

author

Axel T. Brunger

1

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9083112%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

Paul D. Adams

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9083112%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

Luke M Rice

3

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2 November 2019

author name string

L M Rice

3

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30 September 2017

publication date

1 March 1997

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2 November 2019

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2 November 2019

volume

5

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2 November 2019

issue

3

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2 November 2019

page(s)

325-336

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publication type of scholarly work

2 November 2019

review article

1 reference

Optimization by Simulated Annealing

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Crystallographic R factor refinement by molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Torsion angle dynamics: reduced variable conformational sampling enhances crystallographic structure refinement

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Assessing the quality of solution nuclear magnetic resonance structures by complete cross-validation.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculation.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Direct observation of protein solvation and discrete disorder with experimental crystallographic phases

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Conformational Variability of Solution Nucelar Magnetic Resonance Structures

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Do NOE distances contain enough information to assess the relative populations of multi-conformer structures?

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Stereochemically restrained refinement of macromolecular structures

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

New parameters for the refinement of nucleic acid-containing structures

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Proteins at atomic resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Ribonuclease from Streptomyces aureofaciens at atomic resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Full-matrix refinement of the protein crambin at 0.83 A and 130 K.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Atomic charges for DNA constituents derived from single-crystal X-ray diffraction data

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Molecular dynamics simulations in biology

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Refinement of the influenza virus hemagglutinin by simulated annealing

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Direct phase determination by entropy maximization and likelihood ranking: status report and perspectives

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Checking your imagination: applications of the free R value

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

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/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Structure calculation from NMR data

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Calculation of protein structures with ambiguous distance restraints. Automated assignment of ambiguous NOE crosspeaks and disulphide connectivities.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

The impact of direct refinement against three-bond HN-C alpha H coupling constants on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Coupling constants again: experimental restraints in structure refinement

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

The impact of direct refinement against proton chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

The impact of direct refinement against 13C alpha and 13C beta chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Chemical shifts and three-dimensional protein structures

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Determination of macromolecular structures from anomalous diffraction of synchrotron radiation

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

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/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Equation of State Calculations by Fast Computing Machines

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Metropolis Monte Carlo calculations of DNA structure using internal coordinates and NMR distance restraints: an alternative method for generating a high-resolution solution structure.

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Structure Determination from NOESY Intensities Using a Metropolis Simulated-Annealing (MSA) Refinement of Dihedral Angles

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Monte Carlo-minimization approach to the multiple-minima problem in protein folding

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Optimal protocol and trajectory visualization for conformational searches of peptides and proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Protein simulations using techniques suitable for very large systems: the cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Molecular dynamics with coupling to an external bath

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

The detection of sub-units within the crystallographic asymmetric unit

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Inclusion of thermal motion in crystallographic structures by restrained molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Crystal structure determination, refinement and the molecular model of the alpha-amylase inhibitor Hoe-467A

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

Refinement of the solution structure of the DNA dodecamer 5'd(CGCGPATTCGCG)2 containing a stable purine-thymine base pair: combined use of nuclear magnetic resonance and restrained molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0969-2126%2897%2900190-1

7 January 2021

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

10.1016/S0969-2126(97)00190-1

5 March 2023

Identifiers

DOI

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:9083112%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

1 reference