The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
2020 | journal article
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The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Rizzi, A.; Jensen, T.; Slochower, D. R.; Aldeghi, M.; Gapsys, V. ; Ntekoumes, D. & Bosisio, S. et al. (2020)
Journal of Computer-Aided Molecular Design, 34(5) pp. 601-633. DOI: https://doi.org/10.1007/s10822-020-00290-5
Documents & Media
Details
- Authors
- Rizzi, Andrea; Jensen, Travis; Slochower, David R.; Aldeghi, Matteo; Gapsys, Vytautas ; Ntekoumes, Dimitris; Bosisio, Stefano; Papadourakis, Michail; Henriksen, Niel M.; de Groot, Bert L. ; Cournia, Zoe; Dickson, Alex; Michel, Julien; Gilson, Michael K.; Shirts, Michael R.; Mobley, David L.; Chodera, John D.
- Issue Date
- 2020
- Journal
- Journal of Computer-Aided Molecular Design
- ISSN
- 0920-654X
- eISSN
- 1573-4951
- Language
- English
