Kwangho Nam

An Efficient Linear-Scaling Ewald Method for Long-Range Electrostatic Interactions in Combined QM/MM Calculations

Kwangho Nam, Jiali Gao, Darrin M. York · Journal of Chemical Theory and Computation · 2004 · 306 citations

Molecular Mechanical, Engineering, Computational Chemistry +20

Specific Reaction Parametrization of the AM1/d Hamiltonian for Phosphoryl Transfer Reactions:  H, O, and P Atoms

Kwangho Nam, Qiang Cui, Jiali Gao et al. · Journal of Chemical Theory and Computation · 2007 · 160 citations

Engineering, Proton-coupled Electron Transfer, Molecular Biology +17

Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme

Yan Qi, Marie C. Spong, Kwangho Nam et al. · Nature · 2009 · 143 citations · Full text

Genome Instability, Intrahelical Lesion, Surgical Pathology +6

A Combined QM/MM Approach to Protein−Ligand Interactions:  Polarization Effects of the HIV-1 Protease on Selected High Affinity Inhibitors

Christian Hensen, Johannes C. Hermann, Kwangho Nam et al. · Journal of Medicinal Chemistry · 2004 · 119 citations

Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions

Xiaoliang Pan, Junjie Yang, Richard Van et al. · Journal of Chemical Theory and Computation · 2021 · 101 citations · Full text