(Q33302120)

25 July 2017

title

Normal-mode-analysis-monitored energy minimization procedure for generating small-molecule bound conformations (English)

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25 July 2017

2

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25 July 2017

Qi Wang

1

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25 July 2017

language of work or name

English

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publication date

10 October 2007

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25 July 2017

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25 July 2017

volume

2

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25 July 2017

issue

10

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25 July 2017

page(s)

e1025

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Creative Commons Attribution 4.0 International

25 July 2017

copyright license

start time

10 October 2007

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

Preference of small molecules for local minimum conformations when binding to proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1995756

Accurate reproduction of 161 small-molecule complex crystal structures using the EUDOC program: expanding the use of EUDOC to supramolecular chemistry

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1995756

Absolute comparison of simulated and experimental protein-folding dynamics

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1995756

Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1995756

The Cambridge Structural Database: a quarter of a million crystal structures and rising

14 July 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1995756

14 July 2018

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0001025

Locally accessible conformations of proteins: multiple molecular dynamics simulations of crambin

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1995756

The Key–Lock Theory and the Induced Fit Theory

14 July 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0001025

Sampling conformational hyperspace: techniques for improving completeness.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0001025

Assessing equilibration and convergence in biomolecular simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0001025

Modeling domino effects in enzymes: molecular basis of the substrate specificity of the bacterial metallo-beta-lactamases IMP-1 and IMP-6.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0001025

Three-dimensional model of a substrate-bound SARS chymotrypsin-like cysteine proteinase predicted by multiple molecular dynamics simulations: catalytic efficiency regulated by substrate binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0001025

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0001025

Conformational energy penalties of protein-bound ligands

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1995756

EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases

31 October 2018

1 reference

12 December 2020

Conformational changes and drug action

1 reference

12 December 2020

In silico drug discovery: solving the "target-rich and lead-poor" imbalance using the genome-to-drug-lead paradigm

1 reference

12 December 2020

Conformational induction versus conformational selection: evidence from allosteric enhancers

1 reference

12 December 2020

10.1371/JOURNAL.PONE.0001025

Identifiers

DOI

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25 July 2017

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25 July 2017

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