The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
SAMPL6 采样挑战:评估结合自由能计算的可靠性和效率
期刊:Journal of Computer-Aided Molecular Design
影响因子:3.1
doi:10.1007/s10822-020-00290-5
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