RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

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RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

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2018 nî lūn-bûn

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2018年の論文

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2018年学术文章

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2018年学术文章

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2018年学术文章

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2018年学术文章

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2018年学术文章

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2018年學術文章

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2018年學術文章

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2018年學術文章

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RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

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RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

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RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

@en

RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

@nl

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RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

@en

RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

@nl

P1476

RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

@en

P2093

Darwin Yu Fu

http://www.w3.org/2001/XMLSchema#string

Jens Meiler

http://www.w3.org/2001/XMLSchema#string

P2860

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

Computational methods in drug discovery

Exploring the role of receptor flexibility in structure-based drug discovery

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

Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry

Structure-Guided Discovery of Phenyl-diketo Acids as Potent Inhibitors of M. tuberculosis Malate Synthase

Methyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitors

BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library

PubChem Substance and Compound databases

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

P304

3655-3664

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P31

scholarly article

P356

10.1021/ACSOMEGA.7B02059

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P433

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P478

http://www.w3.org/2001/XMLSchema#string

P577

2018-04-02T00:00:00Z

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P698

29732444

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P932

5928483

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