145 citations · 317 across the 24 of their papers we have counts for
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q-bio.BM2017
Rigidity strengthening is a vital mechanism for protein-ligand binding
Duc Duy Nguyen, Tian Xiao, Menglun Wang +1
Protein-ligand binding is essential to almost all life processes. The understanding of protein-ligand interactions is fundamentally important to rational drug design and protein de…
q-bio.QM2017
Feature functional theory - binding predictor (FFT-BP) for the blind prediction of binding free energies
Bao Wang, Zhixiong Zhao, Duc D. Nguyen +1
We present a feature functional theory - binding predictor (FFT-BP) for the protein-ligand binding affinity prediction. The underpinning assumptions of FFT-BP are as follows: i) re…