Automatic tailoring and transplanting: A practical method that makes virtual screening more useful

Journal of Chemical Information and Modeling

Volumn 51, Issue 6, 2011, Pages 1474-1491

  Li, Yan ^a   Zhao, Yuan ^a   Liu, Zhihai ^a   Wang, Renxiao ^a  

^a SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DESIGN; DIGITAL LIBRARIES; LIGANDS; MOLECULES; SOFTWARE TESTING;

AUTOMATIC METHOD; BINDING AFFINITIES; LARGE COMPOUND LIBRARIES; LEAD OPTIMIZATION; PRACTICAL METHOD; STRUCTURE BASED DRUG DESIGNS; SYNTHETIC FEASIBILITY; VIRTUAL SCREENING;

LEAD COMPOUNDS;

MITOGEN ACTIVATED PROTEIN KINASE P38; MYELOID CELL LEUKEMIA SEQUENCE 1 PROTEIN; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR; PROTEIN BCL 2; PROTEIN KINASE INHIBITOR;

ARTICLE; AUTOMATION; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG DESIGN; MOLECULAR LIBRARY; PROTEIN CONFORMATION; THERMODYNAMICS;

AUTOMATION; DRUG DESIGN; MODELS, MOLECULAR; P38 MITOGEN-ACTIVATED PROTEIN KINASES; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PROTO-ONCOGENE PROTEINS C-BCL-2; SMALL MOLECULE LIBRARIES; THERMODYNAMICS; USER-COMPUTER INTERFACE;

EID: 79959688661     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200036m     Document Type: Article

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