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

scientific article

RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/ACSOMEGA.7B02059
P932PMC publication ID5928483
P698PubMed publication ID29732444

P50authorJens MeilerQ29315318
P2093author name stringDarwin Yu Fu
P2860cites workAccounting for receptor flexibility and enhanced sampling methods in computer-aided drug designQ36520871
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Methyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitorsQ27689469
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Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigandQ35710721
P433issue4
P304page(s)3655-3664
P577publication date2018-04-02
P1433published inACS OmegaQ27727647
P1476titleRosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.
P478volume3

Reverse relations

Q96127488Macromolecular modeling and design in Rosetta: recent methods and frameworkscites workP2860

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