(Q51664708)

9 April 2018

title

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database. (English)

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9 April 2018

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4

Krzysztof Ginalski

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9 April 2018

Dariusz Plewczynski

series ordinal

1

object named as

Dariusz Plewczynski

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9 April 2018

Michal Lazniewski

series ordinal

2

object named as

Michał Łaźniewski

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9 April 2018

author name string

Rafał Augustyniak

series ordinal

3

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9 April 2018

publication date

1 September 2010

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9 April 2018

Journal of Computational Chemistry

published in

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9 April 2018

volume

32

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9 April 2018

page(s)

742-755

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9 April 2018

issue

4

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9 April 2018

Ligand.Info small-molecule Meta-Database.

cites work

1 reference

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21 January 2018

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The Protein Data Bank

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

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Convergence and combination of methods in protein-protein docking

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1 reference

Principles of flexible protein-protein docking

21 January 2018

1 reference

Recent Progress and Future Directions in Protein-Protein Docking

21 January 2018

1 reference

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

21 January 2018

1 reference

Molecular docking to ensembles of protein structures

21 January 2018

1 reference

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1 reference

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

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

21 January 2018

1 reference

Development and validation of a genetic algorithm for flexible docking

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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

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

21 January 2018

1 reference

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

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

Comparative study of several algorithms for flexible ligand docking

21 January 2018

1 reference

Evaluation of docking performance: comparative data on docking algorithms

21 January 2018

1 reference

Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography

21 January 2018

1 reference

Comparative assessment of scoring functions on a diverse test set.

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

Consensus scoring with feature selection for structure-based virtual screening

21 January 2018

1 reference

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

21 January 2018

1 reference

eHiTS: a new fast, exhaustive flexible ligand docking system

21 January 2018

1 reference

General and targeted statistical potentials for protein-ligand interactions.

21 January 2018

1 reference

A fast and efficient method to generate biologically relevant conformations

21 January 2018

1 reference

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

21 January 2018

1 reference

Methodological developments and strategies for a fast flexible superposition of drug-size molecules

21 January 2018

1 reference

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

21 January 2018

1 reference

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

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

Evaluation of docking functions for protein-ligand docking

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

The PDBbind database: methodologies and updates

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Cd-hit: a fast program for clustering and comparing large sets of protein or nucleotide sequences

21 January 2018

1 reference

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.21643

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9 April 2018

journals/jcc/PlewczynskiLAG11

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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9 April 2018