2 papers
cond-mat.stat-mech2019
Nonequilibrium path-ensemble averages for symmetric protocols
Trung Hai Nguyen, Van Ngo, João Paulo Castro Zerba +2
According to the nonequilibrium work relations, path-ensembles generated by irreversible processes in which a system is driven out of equilibrium according to a predetermined proto…
q-bio.BM2017
Using the Fast Fourier Transform in Binding Free Energy Calculations
Trung Hai Nguyen, Huan-Xiang Zhou, David D. L. Minh
According to implicit ligand theory, the standard binding free energy is an exponential average of the binding potential of mean force (BPMF), an exponential average of the interac…