Xiaoliang Pan
19PUBLICATIONS
26CO-AUTHORS
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Publications (19)
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|Mar 18, 2026
Enhancing Gaussian process regression-accelerated QM/MM free energy simulations using atomic environment descriptors.Ryan Snyder, Dongru Li, Tinh Ho
|Feb 10, 2025
On the entanglement of chromophore and solvent orbitals.Xinwei Ji, Zheng Pei, Kim Ngan Huynh
|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
|Dec 16, 2024
Exploring CRISPR-Cas9 HNH-Domain-Catalyzed DNA Cleavage Using Accelerated Quantum Mechanical Molecular Mechanical Free Energy Simulation.Richard Van, Xiaoliang Pan, Saadi Rostami
|Dec 12, 2023
Training machine learning potentials for reactive systems: A Colab tutorial on basic models.Xiaoliang Pan, Ryan Snyder, Jia-Ning Wang
|Nov 09, 2023
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions.Xiaoliang Pan, Richard Van, Jingzhi Pu
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