
Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
Author(s) -
Wilfredo Evangelista,
Rebecca L. Weir,
Sally R. Ellingson,
Jason B. Harris,
Karan Kapoor,
Jeremy C. Smith,
Jérôme Baudry
Publication year - 2016
Publication title -
carolina digital repository (university of north carolina at chapel hill)
Language(s) - English
DOI - 10.17615/4ae6-6s45
Subject(s) - docking (animal) , computational biology , computer science , biology , medicine , nursing