(Q36900717)

English

Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets

scientific article published on 23 June 2007

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets (English)

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

author name string

Zhiyong Zhou

1

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Anthony K Felts

2

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Richard A Friesner

3

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Ronald M Levy

4

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

language of work or name

1 reference

based on heuristic

inferred from title

publication date

23 June 2007

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Journal of Chemical Information and Modeling

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

47

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

4

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

1599-1608

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Exploring structural variability in X-ray crystallographic models using protein local optimization by torsion-angle sampling

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

A critical assessment of docking programs and scoring functions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Parameter estimation for scoring protein-ligand interactions using negative training data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Novel procedure for modeling ligand/receptor induced fit effects.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Comparison of automated docking programs as virtual screening tools

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Evaluation of docking performance: comparative data on docking algorithms

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Improved protein-ligand docking using GOLD

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

A new test set for validating predictions of protein-ligand interaction.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Further development and validation of empirical scoring functions for structure-based binding affinity prediction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Development and validation of a genetic algorithm for flexible docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

29 September 2017

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

27 June 2018

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

4 September 2018

Comparative evaluation of 11 scoring functions for molecular docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

4 September 2018

LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

4 September 2018

Knowledge-based scoring function to predict protein-ligand interactions.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

4 September 2018

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

4 September 2018

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2547888

4 September 2018

Identifiers

10.1021/CI7000346

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

DBLP publication ID

journals/jcisd/ZhouFFL07

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

ResearchGate publication ID

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