Consensus models of activity landscapes with multiple chemical, conformer, and property representations

Journal of Chemical Information and Modeling

Volumn 51, Issue 6, 2011, Pages 1259-1270

  Yongye, Austin B ^a   Byler, Kendall ^a   Santos, Radleigh ^a   Martínez Mayorga, Karina ^a   Maggiora, Gerald M ^b   Medina Franco, José L ^a,c  

^a TORREY PINES INSTITUTE FOR MOLECULAR STUDIES   (United States)

^b UNIVERSITY OF ARIZONA   (United States)

^c TRANSLATIONAL GENOMICS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY;

CATHEPSIN L; CONSENSUS MODELS; DATA POINTS; LANDSCAPE MODEL; MOLECULAR REPRESENTATIONS; STRUCTURE ACTIVITY; STRUCTURE PROPERTY; TRYPANOSOMA BRUCEI;

CHEMICAL ENGINEERING;

CYSTEINE PROTEINASE; CYSTEINE PROTEINASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYMOLOGY; HUMAN; IC 50; METABOLISM; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION; TRYPANOSOMA BRUCEI;

CYSTEINE PROTEASES; CYSTEINE PROTEINASE INHIBITORS; HUMANS; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; TRYPANOSOMA BRUCEI BRUCEI;

EID: 79959717483     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200081k     Document Type: Article

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