D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies.
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| Title: | D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies. |
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| Authors: | Parks, Conor D.1, Gaieb, Zied1, Chiu, Michael1, Yang, Huanwang2,3, Shao, Chenghua2,3, Walters, W. Patrick4, Jansen, Johanna M.5, McGaughey, Georgia6, Lewis, Richard A.7, Bembenek, Scott D.8, Ameriks, Michael K.9, Mirzadegan, Tara9, Burley, Stephen K.2,3, Amaro, Rommie E.1,10, drugdesigndata@gmail.com, Gilson, Michael K.1,11, mgilson@ucsd.edu |
| Source: | Journal of Computer-Aided Molecular Design; Feb2020, Vol. 34 Issue 2, p99-119, 21p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-020-00289-y |
