D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
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.
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Published in Journal of computer-aided molecular design (01.01.2018)
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Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions
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Published in Angewandte Chemie (International ed.) (03.01.2011)
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Validation and Use of the MM-PBSA Approach for Drug Discovery
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Published in Journal of medicinal chemistry (16.06.2005)
Published in Journal of medicinal chemistry (16.06.2005)
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