Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-Surflex consensus approach.

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The Augmenting Effects of Desolvation and Conformational Energy Terms on the Predictions of Docking Programs against mPGES-1.Natural products as leads in schistosome drug discovery.Identification of small-molecule inhibitors against SecA by structure-based virtual ligand screening.

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P2860

Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-Surflex consensus approach.

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2013 nî lūn-bûn

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2013年の論文

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2013年学术文章

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Optimization of compound ranki ...... ED-Surflex consensus approach.

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Optimization of compound ranki ...... ED-Surflex consensus approach.

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Optimization of compound ranki ...... ED-Surflex consensus approach.

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Optimization of compound ranki ...... ED-Surflex consensus approach.

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Optimization of compound ranki ...... ED-Surflex consensus approach.

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Optimization of compound ranki ...... ED-Surflex consensus approach.

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P1476

Optimization of compound ranki ...... ED-Surflex consensus approach.

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P2093

Albert V Bitorina

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

Gerry A F Nicolaes

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

Ivo W M Bleylevens

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

Jiangfeng Du

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

Kanin Wichapong

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

P2860

Conformational proofreading: the impact of conformational changes on the specificity of molecular recognition

Flexible ligand docking to multiple receptor conformations: a practical alternative

Structure of tRNA pseudouridine synthase TruB and its RNA complex: RNA recognition through a combination of rigid docking and induced fit

ZINC--a free database of commercially available compounds for virtual screening

Multiple conformational changes in enzyme catalysis

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

Gaussian docking functions

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

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

Protein normal-mode dynamics: trypsin inhibitor, crambin, ribonuclease and lysozyme

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37-51

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scholarly article

P356

10.1111/CBDD.12202

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

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

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2013-10-04T00:00:00Z

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255951239

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23941463

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Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-Surflex consensus approach.

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P2860

P2860

Optimization of compound ranking for structure-based virtual ligand screening using an established FRED-Surflex consensus approach.

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P1433

P1476

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P698