Bioactive focus in conformational ensembles: a pluralistic approach.

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Bioactive focus in conformational ensembles: a pluralistic approach.

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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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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年學術文章

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2017年學術文章

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Bioactive focus in conformational ensembles: a pluralistic approach.

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Bioactive focus in conformational ensembles: a pluralistic approach.

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Bioactive focus in conformational ensembles: a pluralistic approach.

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Bioactive focus in conformational ensembles: a pluralistic approach.

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Bioactive focus in conformational ensembles: a pluralistic approach.

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Bioactive focus in conformational ensembles: a pluralistic approach.

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P1476

Bioactive focus in conformational ensembles: a pluralistic approach.

@en

P2093

Matthew Habgood

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P2860

The Protein Data Bank

Confab - Systematic generation of diverse low-energy conformers

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

Conformer generation with OMEGA: learning from the data set and the analysis of failures.

Conformational sampling of druglike molecules with MOE and catalyst: implications for pharmacophore modeling and virtual screening.

Conformational sampling of bioactive molecules: a comparative study.

Frog2: Efficient 3D conformation ensemble generator for small compounds.

Molecular properties that influence the oral bioavailability of drug candidates.

Knowledge-based libraries for predicting the geometric preferences of druglike molecules.

Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation.

P2888

s10822-017-0089-3

P304

1073-1083

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P31

scholarly article

P356

10.1007/S10822-017-0089-3

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P433

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

P478

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P577

2017-11-30T00:00:00Z

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P698

29189937

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