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AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility

Automated docking of drug-like molecules into receptors is an essential tool in structure-based drug design. While modeling receptor flexibility is important for correctly predicting ligand binding, it still remains challenging. This work focuses on an approach in which receptor flexibility is model...

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Foilsithe in:PLoS Comput Biol
Main Authors: Ravindranath, Pradeep Anand, Forli, Stefano, Goodsell, David S., Olson, Arthur J., Sanner, Michel F.
Formáid: Artigo
Teanga:Inglês
Foilsithe: Public Library of Science 2015
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4667975/
https://ncbi.nlm.nih.gov/pubmed/26629955
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1004586
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