(Q35743367)

10 August 2017

title

Atomic-level accuracy in simulations of large protein crystals (English)

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10 August 2017

D M York

1

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10 August 2017

A Wlodawer

series ordinal

2

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10 August 2017

L G Pedersen

series ordinal

3

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10 August 2017

T A Darden

series ordinal

4

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10 August 2017

language of work or name

English

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publication date

1 August 1994

1 reference

Proceedings of the National Academy of Sciences of the United States of America

10 August 2017

published in

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10 August 2017

volume

91

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10 August 2017

issue

18

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10 August 2017

page(s)

8715-8718

1 reference

On achieving better than 1-A accuracy in a simulation of a large protein: Streptomyces griseus protease A

10 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Realistic simulations of native-protein dynamics in solution and beyond

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Computer simulation of the dynamics of hydrated protein crystals and its comparison with x-ray data

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Fluctuations in Protein Structure from X-Ray Diffraction

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

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

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Theoretical calculation of relative binding affinity in host-guest systems

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Structure of form III crystals of bovine pancreatic trypsin inhibitor

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Cutoff size does strongly influence molecular dynamics results on solvated polypeptides

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

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

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=44677

Simulations of proteins in water

25 September 2018

1 reference

12 December 2020

Comparison of two highly refined structures of bovine pancreatic trypsin inhibitor

1 reference

12 December 2020

Aromatic rings act as hydrogen bond acceptors

1 reference

12 December 2020

MD simulation of subtilisin BPN' in a crystal environment

1 reference

12 December 2020

Molecular dynamics simulation of HIV-1 protease in a crystalline environment and in solution

1 reference

12 December 2020

On the calculation of pKas in proteins

1 reference

12 December 2020

Recent advances in bone densitometry

1 reference

12 December 2020

Protein dynamics in solution and in a crystalline environment: a molecular dynamics study

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.91.18.8715

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10 August 2017

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10 August 2017

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