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D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings

D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings

by Gaieb, Zied, Parks, Conor D., Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Walters, W. Patrick, Lambert, Millard H., Nevins, Neysa, Bembenek, Scott D., Ameriks, Michael K., Mirzadegan, Tara, Burley, Stephen K., Amaro, Rommie E., Gilson, Michael K.
Published in Journal of computer-aided molecular design (01.01.2019)

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Journal Article

D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

by Parks, Conor D., Gaieb, Zied, Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Walters, W. Patrick, Jansen, Johanna M., McGaughey, Georgia, Lewis, Richard A., Bembenek, Scott D., Ameriks, Michael K., Mirzadegan, Tara, Burley, Stephen K., Amaro, Rommie E., Gilson, Michael K.
Published in Journal of computer-aided molecular design (01.02.2020)

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Journal Article