Hongzhi Li

Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface.

Wei Yang, Donghong Min, Guohui Li, 2007, The Journal of chemical physics.

QM/MM Alchemical Free Energy Simulations: Challenges and Recent Developments

Wei Yang, Donghong Min, Qiang Cui, 2010 .

A model of local‐minima distribution on conformational space and its application to protein structure prediction

Hongzhi Li, 2006, Proteins.

Sampling enhancement for the quantum mechanical potential based molecular dynamics simulations: a general algorithm and its extension for free energy calculation on rugged energy surface.

Wei Yang, Wei Yang, Hongzhi Li, 2007, The Journal of chemical physics.

Forging the missing link in free energy estimations: λ-WHAM in thermodynamic integration, overlap histogramming, and free energy perturbation

Wei Yang, Hongzhi Li, Hongzhi Li, 2007 .

Efficient sampling of ion motions in molecular dynamics simulations on DNA: Variant Hamiltonian replica exchange method

Wei Yang, Marcia O. Fenley, Donghong Min, 2008 .

Dual-Topology Hamiltonian-Replica-Exchange Overlap Histogramming Method to Calculate Relative Free Energy Difference in Rough Energy Landscape

Wei Yang, Donghong Min, Guohui Li, 2006 .