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Journal of Computational Chemistry|May 19, 2025
Quantifying the Cooperativity of Backbone Hydrogen BondingYou Xu, Jing HuangCommunications Chemistry|January 25, 2023
Validating the CHARMM36m protein force field with LJ-PME reveals altered hydrogen bonding dynamics under elevated pressuresYou Xu, Jing HuangJournal of Chemical Information and Modeling|October 3, 2024
Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug DiscoveryRuntong Qian, Jing Xue, You Xu, et al.Journal of Chemical Theory and Computation|November 11, 2024
Identifying the Most Probable Transition Path with Constant Advance ReplicasZilin Song, You Xu, He Zhang, et al.Biomolecules|October 27, 2022
Structural Achievability of an NH-π Interaction between Gln and Phe in a Crystal Structure of a Collagen-like PeptideRuixue Zhang, You Xu, Jun Lan, et al.Iscience|May 11, 2026
The intrinsic disorder challenge for AlphaFold: A case study of G3BP1 and pathogenic peptideYucong Li, Zhiying Yao, Zilin Song, et al.Journal of Computer-Aided Molecular Design|January 22, 2020
Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fieldsYe Ding, You Xu, Cheng Qian, et al.Chemsuschem|December 20, 2022
Synergistic Combination of Fermi Level Equilibrium and Plasmonic Effect for Formic Acid DehydrogenationJiannan Zhu, Jing Huang, Jiawei Dai, et al.Chemical Communications (Cambridge, England)|August 26, 2025
AuCu bimetallic nanourchins with low-coordinated sites for highly efficient electroreduction of CO2 to acetate at low potentialYou Xu, Jing Huang, Deyu Zhu, et al.Chemical Society Reviews|January 25, 2014
Recent advances in porous Pt-based nanostructures: synthesis and electrochemical applicationsYou Xu, Bin ZhangPageof 508