Accurate Binding Free Energy Method from End-State MD Simulations.

Ebru Akkus Omer Tayfuroglu Muslum Yildiz Abdulkadir Kocak

Published in: J. Chem. Inf. Model. (2022)

Keyphrases

objective function
prior knowledge
dynamic programming
neural network
image segmentation
optimal solution
pairwise
missing data
closed form
prior information
free energy