108 citations · 357 across the 15 of their papers we have counts for
Showing q-bio.BMShow all
2 papers · 1 filter
q-bio.BM2017
Atomic radius and charge parameter uncertainty in biomolecular solvation energy calculations
Xiu Yang, Huan Lei, Peiyuan Gao +3
Atomic radii and charges are two major parameters used in implicit solvent electrostatics and energy calculations. The optimization problem for charges and radii is under-determine…
q-bio.BM2014★ 29 cited
Quantifying the influence of conformational uncertainty in biomolecular solvation
Huan Lei, Xiu Yang, Bin Zheng +2
Biomolecules exhibit conformational fluctuations near equilibrium states, inducing uncertainty in various biological properties in a dynamic way. We have developed a general method…