Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols using Active Learning
, Authors:
Cesar de Oliveira, Karl Leswing, Shulu Feng, Rene Kanters, Robert Abel, Sathesh Bhat
Version 1 posted 03 May 2023
1,360
Downloads