Search Results for author: Huan-Xiang Zhou

Found 1 papers, 1 papers with code

Using the Fast Fourier Transform in Binding Free Energy Calculations

1 code implementation27 Jul 2017 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 interaction energy between the ligand apo ensemble and a rigid receptor.

Molecular Docking

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