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Physical Chemistry Chemical Physics : PCCP|October 28, 2025
Exploring the enantioselective synthesis mechanism of ammonium cations in solution using deep learning potentialHongqiang Cui, Da Zheng, Huiying Chu, et al.The Journal of Physical Chemistry. B|January 7, 2026
Exploring the Mutarotation Mechanism of Glucose in Solution Using Deep Learning PotentialHongqiang Cui, Da Zheng, Huiying Chu, et al.Journal of Chemical Theory and Computation|November 5, 2024
A Multipole-Based Reactive Force Field for HydrocarbonsJunben Weng, Hongqiang Cui, Da Zheng, et al.Journal of Chemical Theory and Computation|January 23, 2026
Combining Coarse-Grained Reactive Molecular Dynamics with an Enhanced-Sampling Method for MFI Zeolite CrystallizationDa Zheng, Junfeng Wang, Hongqiang Cui, et al.Physical Chemistry Chemical Physics : PCCP|March 10, 2023
The molecular mechanism of Y473 phosphorylation of UGDH relieves the inhibition effect of UDP-glucose on HuRYe Liu, Yan Li, Guohui Li, et al.The Journal of Physical Chemistry. B|October 18, 2025
Investigating the Impact of Base Pair Mismatches on Cas13d Cleavage Efficiency Using Molecular Dynamics SimulationsYe Liu, Yan Li, Guohui Li, et al.Journal of Biomolecular Structure & Dynamics|August 11, 2023
Polarizable atomic multipole-based force field for cholesterolYan Li, Ye Liu, Boya Yang, et al.Archives of Biochemistry and Biophysics|August 31, 2024
Insight of the molecular mechanism of inhibitors located at different allosteric sites regulating the activity of wild type and mutant KRAS (G12)Ye Liu, Yan Li, Guohui Li, et al.Journal of Biomolecular Structure & Dynamics|December 1, 2022
Synergistic effect of conformational changes in phosphoglycerate kinase 1 product releaseYe Liu, Yan Li, Sijin Wu, et al.Molecules (Basel, Switzerland)|January 6, 2018
A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic LipidsHuiying Chu, Xiangda Peng, Yan Li, et al.Pageof 2,703