Survey of public domain software for docking simulations and virtual screening

Human Genomics

Volumn 5, Issue 5, 2011, Pages 497-505

  Biesiada, Jacek ^a,b   Porollo, Aleksey ^c   Velayutham, Prakash ^a   Kouril, Michal ^a   Meller, Jaroslaw ^a,c,d  

^a CINCINNATI CHILDREN S HOSPITAL RESEARCH FOUNDATION   (United States)

^b SILESIAN UNIVERSITY OF TECHNOLOGY   (Poland)

^c UNIVERSITY OF CINCINNATI COLLEGE OF MEDICINE   (United States)

^d NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

Docking packages; Drug discovery; Oestrogen activity prediction; Oestrogen receptor; SAR; Small molecule docking; Virtual screening; Visualisation of docking poses

Indexed keywords

ESTRADIOL DERIVATIVE; ESTROGEN RECEPTOR ALPHA; LIGAND; PROTEIN;

ALGORITHM; ANIMAL; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; HUMAN; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; REVIEW;

ALGORITHMS; ANIMALS; BINDING SITES; ESTRADIOL CONGENERS; ESTROGEN RECEPTOR ALPHA; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEINS; SOFTWARE;

EID: 84856031509     PISSN: 14739542     EISSN: 14797364     Source Type: Journal    
DOI: 10.1186/1479-7364-5-5-497     Document Type: Review

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