D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

Author:

Gaieb Zied,Liu Shuai,Gathiaka Symon,Chiu Michael,Yang Huanwang,Shao Chenghua,Feher Victoria A.,Walters W. Patrick,Kuhn Bernd,Rudolph Markus G.,Burley Stephen K.,Gilson Michael K.,Amaro Rommie E.

Funder

National Institute of General Medical Sciences

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery

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