(Q35612259)

9 August 2017

Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding (English)

1 reference

9 August 2017

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1 reference

Tom Young

1

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9 August 2017

Robert Abel

2

1 reference

9 August 2017

Byungchan Kim

3

1 reference

9 August 2017

Bruce J Berne

4

1 reference

9 August 2017

Richard A Friesner

5

1 reference

9 August 2017

language of work or name

English

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publication date

4 January 2007

1 reference

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

9 August 2017

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9 August 2017

104

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9 August 2017

3

1 reference

9 August 2017

808-813

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Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

9 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Cooperative hydrogen bond interactions in the streptavidin-biotin system

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Cooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Dewetting-induced collapse of hydrophobic particles

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

On the calculation of absolute macromolecular binding free energies

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Drying-induced hydrophobic polymer collapse

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Structural insights into the stereochemistry of the cyclooxygenase reaction

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Molecular basis of crossreactivity and the limits of antibody-antigen complementarity

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Coarse nonlinear dynamics and metastability of filling-emptying transitions: water in carbon nanotubes.

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Contributions to the binding free energy of ligands to avidin and streptavidin.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1783395

Molecular dynamics simulations at constant pressure and/or temperature

25 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0610202104

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0610202104

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0610202104

Direct entropy calculation from computer simulation of liquids

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17204562

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.0610202104

1 reference

9 August 2017

0 references

1 reference

9 August 2017

1 reference