DockBench: An integrated informatic platform bridging the gap between the robust validation of docking protocols and virtual screening simulations

Molecules

Volumn 20, Issue 6, 2015, Pages 9977-9993

  Cuzzolin, Alberto ^a   Sturlese, Mattia ^a   Malvacio, Ivana ^b   Ciancetta, Antonella ^a   Moro, Stefano ^a  

^a UNIVERSITY OF PADOVA   (Italy)

^b DEPARTAMENTO DE FISICOQUÍMICA   (Argentina)

Author keywords

Docking benchmark; Molecular docking; Structure based drug design; Virtual screening

Indexed keywords

CHECKPOINT KINASE 1; LIGAND; MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN KINASE; PROTEIN KINASE INHIBITOR;

ALGORITHM; CHEMISTRY; COMPUTER INTERFACE; DRUG DESIGN; DRUG DEVELOPMENT; HIGH THROUGHPUT SCREENING; HUMAN; MOLECULAR DOCKING; MOLECULAR LIBRARY; PROTEIN CONFORMATION; SOFTWARE; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; DRUG DESIGN; DRUG DISCOVERY; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; SMALL MOLECULE LIBRARIES; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP; USER-COMPUTER INTERFACE;

EID: 84938276045     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules20069977     Document Type: Article

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