LiGen: A high performance workflow for chemistry driven de novo design

Journal of Chemical Information and Modeling

Volumn 53, Issue 6, 2013, Pages 1518-1527

  Beccari, Andrea R ^a,b   Cavazzoni, Carlo ^c   Beato, Claudia ^b   Costantino, Gabriele ^b  

^a Chemistry Section   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

^c CINECA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

BIOLOGICAL PROPERTIES; DE NOVO DESIGN; DOCKING PROCEDURES; FLEXIBLE DOCKING; INPUT CONSTRAINTS; PHARMACOPHORES; STAND ALONE TOOLS; STRUCTURE-BASED;

PHARMACODYNAMICS;

LIGAND;

ARTICLE; COMPUTER PROGRAM; DRUG DESIGN; MOLECULAR DOCKING; WORKFLOW;

DRUG DESIGN; LIGANDS; MOLECULAR DOCKING SIMULATION; SOFTWARE; WORKFLOW;

EID: 84879581777     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400078g     Document Type: Article

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