(Q34198258)

31 July 2017

Exploring protein flexibility: incorporating structural ensembles from crystal structures and simulation into virtual screening protocols (English)

1 reference

31 July 2017

1 reference

1 reference

David J Osguthorpe

1

1 reference

31 July 2017

Woody Sherman

series ordinal

2

1 reference

31 July 2017

Arnold T Hagler

series ordinal

3

1 reference

31 July 2017

language of work or name

English

0 references

publication date

23 April 2012

1 reference

Journal of Physical Chemistry B

31 July 2017

1 reference

31 July 2017

116

1 reference

31 July 2017

23

1 reference

31 July 2017

6952-6959

1 reference

Mechanism of androgen receptor antagonism by bicalutamide in the treatment of prostate cancer

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

Identifying and characterizing binding sites and assessing druggability

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

5 July 2018

The Monte Carlo method

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

Benchmarking sets for molecular docking

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

Folding a protein in a computer: An atomic description of the folding/unfolding of protein 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=3376248

Canonical dynamics: Equilibrium phase-space distributions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

A temperature predictor for parallel tempering simulations.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3376248

Exploring the energy landscape of a beta hairpin in explicit solvent

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22424156

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

New method for fast and accurate binding-site identification and analysis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22424156

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22424156

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP3003992

1 reference

31 July 2017

1 reference

31 July 2017

1 reference