(Q30393255)

10 August 2017

VoteDock: consensus docking method for prediction of protein-ligand interactions (English)

1 reference

10 August 2017

4

Leszek Rychlewski

1 reference

10 August 2017

5

Krzysztof Ginalski

1 reference

10 August 2017

1

Dariusz Plewczynski

1 reference

10 August 2017

3

Marcin von Grotthuss

1 reference

10 August 2017

2

Michał Łaźniewski

1 reference

10 August 2017

1 September 2010

1 reference

Journal of Computational Chemistry

10 August 2017

1 reference

10 August 2017

32

1 reference

10 August 2017

4

1 reference

10 August 2017

568-581

1 reference

Performance of machine learning methods for ligand-based virtual screening

10 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Convergence and combination of methods in protein-protein docking

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

SeleX-CS: a new consensus scoring algorithm for hit discovery and lead optimization

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Scoring confidence index: statistical evaluation of ligand binding mode predictions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Evaluation of molecular docking using polynomial empirical scoring functions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Hybrid scoring and classification approaches to predict human pregnane X receptor activators

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

MedusaScore: an accurate force field-based scoring function for virtual drug screening

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Principles of flexible protein-protein docking

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Molecular docking of intercalators and groove-binders to nucleic acids using Autodock and Surflex

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Recent Progress and Future Directions in Protein-Protein Docking

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Molecule-pharmacophore superpositioning and pattern matching in computational drug design

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

eHiTS: an innovative approach to the docking and scoring function problems.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

On evaluating molecular-docking methods for pose prediction and enrichment factors

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

The PDBbind database: methodologies and updates

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Ligand.Info small-molecule Meta-Database.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Comparative evaluation of eight docking tools for docking and virtual screening accuracy

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Detecting distant homology with Meta-BASIC.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Detailed analysis of grid-based molecular docking: A case study of CDOCKER-A CHARMm-based MD docking algorithm.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

3D-Jury: a simple approach to improve protein structure predictions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Evaluation of docking functions for protein-ligand docking

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

Development and validation of a genetic algorithm for flexible docking

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510457

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

20 June 2018

1 reference

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

21 January 2018

1 reference

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

21 January 2018

1 reference

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

21 January 2018

1 reference

Automated docking with grid-based energy evaluation

21 January 2018

1 reference

Comparative evaluation of 11 scoring functions for molecular docking

21 January 2018

1 reference

Consensus scoring with feature selection for structure-based virtual screening

21 January 2018

1 reference

Comparative assessment of scoring functions on a diverse test set.

21 January 2018

1 reference

Scoring ensembles of docked protein:ligand interactions for virtual lead optimization

21 January 2018

1 reference

Empirical scoring functions for advanced protein-ligand docking with PLANTS.

21 January 2018

1 reference

Bootstrap-based consensus scoring method for protein-ligand docking.

21 January 2018

1 reference

Structure-based virtual screening with supervised consensus scoring: evaluation of pose prediction and enrichment factors

21 January 2018

1 reference

Alternative to consensus scoring--a new approach toward the qualitative combination of docking algorithms.

21 January 2018

1 reference

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

21 January 2018

1 reference

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

21 January 2018

1 reference

Assessing different classification methods for virtual screening.

21 January 2018

1 reference

Target specific compound identification using a support vector machine.

21 January 2018

1 reference

pyDock: electrostatics and desolvation for effective scoring of rigid-body protein-protein docking

21 January 2018

1 reference

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

21 January 2018

1 reference

12 December 2020

Evaluation of ligand-binding affinity using polynomial empirical scoring functions

1 reference

12 December 2020

A multivariate approach to investigate docking parameters' effects on docking performance

1 reference

12 December 2020

Structural artifacts in protein-ligand X-ray structures: implications for the development of docking scoring functions

1 reference

12 December 2020

MCDOCK: a Monte Carlo simulation approach to the molecular docking problem

1 reference

12 December 2020

Comments on the article "On evaluating molecular-docking methods for pose prediction and enrichment factors"

1 reference

12 December 2020

Identifiers

DOI

10.1002/JCC.21642

1 reference

journals/jcc/PlewczynskiLGRG11

10 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

10 August 2017

1 reference

PMCID

4510457