QuickVina : accelerating AutoDock Vina using gradient-based heuristics for global optimization

Predicting binding between macromolecule and small molecule is a crucial phase in the field of rational drug design. AutoDock Vina, one of the most widely used docking software released in 2009, uses an empirical scoring function to evaluate the binding affinity between the molecules and employs the...

Täydet tiedot

Bibliografiset tiedot
Päätekijät: Handoko, Stephanus Daniel, Ouyang, Xuchang, Su, Chinh Tran To, Kwoh, Chee Keong, Ong, Yew Soon
Muut tekijät: School of Computer Engineering
Aineistotyyppi: Journal Article
Kieli:English
Julkaistu: 2013
Aiheet:
Linkit:https://hdl.handle.net/10356/102709
http://hdl.handle.net/10220/16520

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