(Q47573321)

4 February 2018

title

GalaxyDock2: protein-ligand docking using beta-complex and global optimization (English)

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4

Chaok Seok

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Woong-Hee Shin

series ordinal

1

object named as

Woong-Hee Shin

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4 February 2018

author name string

Jae-Kwan Kim

series ordinal

2

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Deok-Soo Kim

series ordinal

3

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publication date

24 September 2013

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Journal of Computational Chemistry

published in

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volume

34

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issue

30

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page(s)

2647-2656

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4 February 2018

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

cites work

1 reference

Protein-ligand docking: current status and future challenges

21 January 2018

1 reference

Development and validation of a genetic algorithm for flexible docking

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21 January 2018

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Challenges and advances in computational docking: 2009 in review

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LigDockCSA: protein-ligand docking using conformational space annealing.

21 January 2018

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GalaxyDock: protein-ligand docking with flexible protein side-chains

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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

21 January 2018

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IRECS: a new algorithm for the selection of most probable ensembles of side-chain conformations in protein models

21 January 2018

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BetaDock: shape-priority docking method based on beta-complex.

21 January 2018

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Comparative assessment of scoring functions on a diverse test set.

21 January 2018

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Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

21 January 2018

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Comparison of algorithms for dissimilarity-based compound selection.

21 January 2018

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Rotamer libraries in the 21st century

21 January 2018

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Diverse, high-quality test set for the validation of protein-ligand docking performance.

21 January 2018

1 reference

A semiempirical free energy force field with charge-based desolvation

21 January 2018

1 reference

AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB

21 January 2018

1 reference

A statistical rescoring scheme for protein-ligand docking: Consideration of entropic effect.

21 January 2018

1 reference

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

21 January 2018

1 reference

Virtual screening of molecular databases using a support vector machine.

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

Side-chain rotamer changes upon ligand binding: common, crucial, correlate with entropy and rearrange hydrogen bonding

21 January 2018

1 reference

The molecular surface package

21 January 2018

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Flexible side chain models improve enrichment rates in in silico screening

21 January 2018

1 reference

Finding more needles in the haystack: A simple and efficient method for improving high-throughput docking results.

21 January 2018

1 reference

Robust ligand-based modeling of the biological targets of known drugs

21 January 2018

1 reference

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation

21 January 2018

1 reference

A statistical framework to evaluate virtual screening

21 January 2018

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Surflex-Dock: Docking benchmarks and real-world application

21 January 2018

1 reference

RosettaLigand docking with full ligand and receptor flexibility.

21 January 2018

1 reference

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).

21 January 2018

1 reference

Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex

21 January 2018

1 reference

The FALC-Loop web server for protein loop modeling

21 January 2018

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Protein loop modeling by using fragment assembly and analytical loop closure

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23438

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4 February 2018

DBLP publication ID

journals/jcc/ShinKKS13

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DBLP Dataset 2021-01-02

28 January 2021

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4 February 2018