Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method.

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Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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Binding pose and affinity pred ...... 2 using the Wilma-SIE method.

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Binding pose and affinity pred ...... 2 using the Wilma-SIE method.

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Binding pose and affinity pred ...... 2 using the Wilma-SIE method.

@en

Binding pose and affinity pred ...... 2 using the Wilma-SIE method.

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Binding pose and affinity pred ...... 2 using the Wilma-SIE method.

@en

Binding pose and affinity pred ...... 2 using the Wilma-SIE method.

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P1476

Binding pose and affinity pred ...... 2 using the Wilma-SIE method.

@en

P2093

Christopher R Corbeil

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

Enrico O Purisima

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

Francis Gaudreault

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

Hervé Hogues

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

Traian Sulea

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P2860

Flexible ligand docking to multiple receptor conformations: a practical alternative

Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex

The Amber biomolecular simulation programs

Systematic exploitation of multiple receptor conformations for virtual ligand screening

Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge.

Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space.

SIENA: Efficient Compilation of Selective Protein Binding Site Ensembles.

Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database.

Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring.

Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models.

P2888

s10822-017-0071-0

P304

143-150

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scholarly article

P356

10.1007/S10822-017-0071-0

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P433

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

P478

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

P577

2017-10-05T00:00:00Z

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P698

28983727

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