Kwangho Nam

28PUBLICATIONS
94CO-AUTHORS
Deep learningPolymerisation mechanismsComputational complexity and computabilityComputational chemistryBiomolecular modelling and design
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Publications (28)

|Aug 31, 2026
Accurate and Time-Efficient Condensed-Phase Free Energy Simulations with Reaction Specific Δ-Machine Learning Potentials in CHARMM.

|Jul 29, 2026
Hydrogen Atom-Coupled Electron Transfer-Driven Anionic Polymerization under Aerobic Conditions.

|Apr 10, 2026
Accelerating Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations with Stochastic Iso-Kinetic Nosé-Hoover Multiple Time Step Integrator in CHARMM.

Kwangho Nam, Yihan Shao

|Sep 25, 2025
Toward Improving Multiple Time Step QM/MM Simulations with Δ-Machine Learning.

Reilly Osadchey, Kwangho Nam, Qiang Cui

|May 19, 2025
Template-Based Docking Using Automated Maximum Common Substructure Identification with EnzyDock: Mechanistic and Inhibitor Docking.

Renana Schwartz, Amit Hadar-Volk, Kwangho Nam

|Jan 15, 2025
Machine Learning Quantum Mechanical/Molecular Mechanical Potentials: Evaluating Transferability in Dihydrofolate Reductase-Catalyzed Reactions.

Abdul Raafik Arattu Thodika, Xiaoliang Pan, Yihan Shao

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Frequent Collaborators

8 joint publications

Magnus Wolf-Watz

5 joint publications

Abdul Raafik Arattu Thodika

5 joint publications

Yihan Shao

5 joint publications

Xiaoliang Pan