The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations

ISSN
0920-654X
Date Issued
2020
Author(s)
Rizzi, Andrea
Jensen, Travis
Slochower, David R.
Aldeghi, Matteo
Ntekoumes, Dimitris
Bosisio, Stefano
Papadourakis, Michail
Henriksen, Niel M.
Cournia, Zoe
Dickson, Alex
Michel, Julien
Gilson, Michael K.
Shirts, Michael R.
Mobley, David L.
Chodera, John D.
DOI
10.1007/s10822-020-00290-5