145 citations · 317 across the 24 of their papers we have counts for
Showing 2016Show all
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q-bio.BM2016★ 29 cited
Generalized flexibility-rigidity index
Duc Duy Nguyen, Kelin Xia, Guo-Wei Wei
Flexibility-rigidity index (FRI) has been developed as a robust, accurate and efficient method for macromolecular thermal fluctuation analysis and B-factor prediction. The performa…
q-bio.QM2016
The impact of surface area, volume, curvature and Lennard-Jones potential to solvation modeling
Duc Duy Nguyen, Guo-Wei Wei
This paper explores the impact of surface area, volume, curvature and Lennard-Jones potential on solvation free energy predictions. Rigidity surfaces are utilized to generate robus…
q-bio.BM2016★ 2 cited
Accurate, robust and reliable calculations of Poisson-Boltzmann binding energies
Duc D. Nguyen, Bao Wang, Guo-wei Wei
Poisson-Boltzmann (PB) model is one of the most popular implicit solvent models in biophysical modeling and computation. The ability of providing accurate and reliable PB estimatio…