TLS from fundamentals to practice (Q34219084)

31 July 2017

TLS from fundamentals to practice (English)

1 reference

31 July 2017

3

1 reference

31 July 2017

1

Alexandre Urzhumtsev

1 reference

31 July 2017

2

Pavel V Afonine

1 reference

PubMed ID

25249713

31 July 2017

language of work or name

1 reference

1 July 2013

1 reference

31 July 2017

Crystallography Reviews

1 reference

31 July 2017

19

1 reference

31 July 2017

4

1 reference

31 July 2017

230-270

1 reference

Bulk-solvent and overall scaling revisited: faster calculations, improved results

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Modelling dynamics in protein crystal structures by ensemble refinement

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Towards automated crystallographic structure refinement with phenix.refine

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Validation of crystallographic models containing TLS or other descriptions of anisotropy

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

PHENIX: a comprehensive Python-based system for macromolecular structure solution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Ensemble Refinement of Protein Crystal Structures: Validation and Application

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Optimal description of a protein structure in terms of multiple groups undergoing TLS motion

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

A molecular viewer for the analysis of TLS rigid-body motion in macromolecules

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Refinement of macromolecular structures by the maximum-likelihood method

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Structure of 6-phosphogluconate dehydrogenase refined at 2 A resolution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Macromolecular TLS refinement in REFMAC at moderate resolutions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Glutathione reductase of the malarial parasite Plasmodium falciparum: crystal structure and inhibitor development

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Structure of dimeric cytochrome c3 from Desulfovibrio gigas at 1.2 A resolution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

The structure and thermal motion of the B800-850 LH2 complex from Rps.acidophila at 2.0A resolution and 100K: new structural features and functionally relevant motions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Refinement of the arginine kinase transition-state analogue complex at 1.2 A resolution: mechanistic insights

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Anisotropic behaviour of the C-terminal Kunitz-type domain of the alpha3 chain of human type VI collagen at atomic resolution (0.9 A)

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Conformational flexibility in T4 endonuclease VII revealed by crystallography: implications for substrate binding and cleavage

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Crystal structure of GerE, the ultimate transcriptional regulator of spore formation in Bacillus subtilis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Use of TLS parameters to model anisotropic displacements in macromolecular refinement

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

The three-dimensional structure of human S100A12

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

The 1.0 A crystal structure of Ca(2+)-bound calmodulin: an analysis of disorder and implications for functionally relevant plasticity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Comparing anisotropic displacement parameters in protein structures

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

1.7 A structure of the stabilized REIv mutant T39K. Application of local NCS restraints

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Expanding the model: anisotropic displacement parameters in protein structure refinement.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Efficient anisotropic refinement of macromolecular structures using FFT

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Crystallographic evaluation of internal motion of human alpha-lactalbumin refined by full-matrix least-squares method

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Full-matrix least-squares refinement of lysozymes and analysis of anisotropic thermal motion

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Dynamic structure of human lysozyme derived from X-ray crystallography: normal mode refinement

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Local mobility of nucleic acids as determined from crystallographic data. I. RNA and B form DNA.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

On the derivation of dynamic information from diffraction data

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

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

5 July 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

5 July 2018

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

Refinement of protein dynamic structure: normal mode refinement

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Rigid protein motion as a model for crystallographic temperature factors

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

The segmented anisotropic refinement of monoclinic papain by the application of the rigid-body TLS model and comparison to bovine ribonuclease A.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Domain flexibility in aspartic proteinases

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Normal mode refinement: crystallographic refinement of protein dynamic structure. I. Theory and test by simulated diffraction data

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Dynamic information from protein crystallography. An analysis of temperature factors from refinement of the hen egg-white lysozyme structure

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Crystallographic studies of the dynamic properties of lysozyme

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Interferenz von Röntgenstrahlen und Wärmebewegung

5 July 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

Interpretation of atomic displacement parameters from diffraction studies of crystals

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

On the relationship between diffraction patterns and motions in macromolecular crystals.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

398. The structure of overcrowded aromatic compounds. Part VI. The crystal structure of benzo[c]phenanthrene and of 1,12-dimethylbenzo[c]phenanthrene

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

More examples of the 15-crown-5...H2O-M-OH2...15-crown-5 motif, M = Al3+, Cr3+ and Pd2+.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

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/10.1080%2F0889311X.2013.835806

Crystallographic analysis of the thermal motion of the inclusion complex of cyclomaltoheptaose (beta-cyclodextrin) with hexamethylenetetramine

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

Structure refinement of Cu8GeS6 using X-ray diffraction data from a multiple-twinned crystal. Erratum

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

RESTRAIN: restrained structure-factor least-squares refinement program for macromolecular structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

Further refinements of some rigid boron compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F0889311X.2013.835806

Molecular rigid-body displacements in a tetragonal lysozyme crystal confirmed by X-ray diffuse scattering.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Time-averaging crystallographic refinement: possibilities and limitations using alpha-cyclodextrin as a test system.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye–Waller factors

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parameters

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4170067

Dynamics of molecules in crystals from multi-temperature anisotropic displacement parameters. II. Application To benzene (C6D6) and urea

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25249713

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Dynamics of molecules in crystals from multi-temperature anisotropic displacement parameters. I. theory

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25249713

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1080/0889311X.2013.835806

1 reference

31 July 2017

1 reference

31 July 2017

1 reference

PubMed ID

25249713