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Overview of the SAMPL6 host-guest binding affinity prediction challenge
View ORCID ProfileAndrea Rizzi, View ORCID ProfileSteven Murkli, View ORCID ProfileJohn N. McNeill, View ORCID ProfileWei Yao, View ORCID ProfileMatthew Sullivan, View ORCID ProfileMichael K. Gilson, Michael W. Chiu, View ORCID ProfileLyle Isaacs, View ORCID ProfileBruce C. Gibb, View ORCID ProfileDavid L. Mobley, View ORCID ProfileJohn D. Chodera
doi: https://doi.org/10.1101/371724
Andrea Rizzi
1Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065, USA
2Tri-Institutional Training Program in Computational Biology and Medicine, New York, NY 10065, USA
Steven Murkli
3Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA
John N. McNeill
3Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA
Wei Yao
4Department of Chemistry, Tulane University, Louisiana, LA 70118, USA
Matthew Sullivan
4Department of Chemistry, Tulane University, Louisiana, LA 70118, USA
Michael K. Gilson
5Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA 92093, USA
Michael W. Chiu
6Qualcomm Institute, University of California, San Diego, La Jolla, CA 92093, USA
Lyle Isaacs
3Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20742, USA
Bruce C. Gibb
4Department of Chemistry, Tulane University, Louisiana, LA 70118, USA
David L. Mobley
7Department of Pharmaceutical Sciences and Department of Chemistry, University of California, Irvine, California 92697, USA
John D. Chodera
1Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065, USA
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Posted July 19, 2018.
Overview of the SAMPL6 host-guest binding affinity prediction challenge
Andrea Rizzi, Steven Murkli, John N. McNeill, Wei Yao, Matthew Sullivan, Michael K. Gilson, Michael W. Chiu, Lyle Isaacs, Bruce C. Gibb, David L. Mobley, John D. Chodera
bioRxiv 371724; doi: https://doi.org/10.1101/371724
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