A Combined Linear Interaction Energy and Alchemical Solvation Free Energy Approach for Protein–Binding Affinity Computation
Rifai, Eko Aditya, Ferrario, Valerio, Pleiss, Juergen, Geerke, Daan P.Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00890
Date:
January, 2020
File:
PDF, 4.16 MB
2020