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Physical Chemistry Chemical Physics : PCCP|March 30, 2022
Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levelsZhaoxi Sun, Qiaole HePhysical Chemistry Chemical Physics : PCCP|March 12, 2019
BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscapeXiaohui Wang, Qiaole He, Zhaoxi SunJournal of Computer-Aided Molecular Design|January 25, 2020
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulationsZhaoxi Sun, Qiaole He, Xiao Li, et al.Journal of Chemical Information and Modeling|November 24, 2021
A General Picture of Cucurbit[8]uril Host-Guest BindingZhaoxi Sun, Zhe Huai, Qiaole He, et al.Physical Chemistry Chemical Physics : PCCP|June 25, 2019
Sulfur-substitution-induced base flipping in the DNA duplexZhaoxi Sun, Xiaohui Wang, John Z H Zhang, et al.Molecules (Basel, Switzerland)|April 13, 2023
A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded InteractionsZhaoxi Sun, Qiaole He, Zhihao Gong, et al.Pageof 1