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All papers authored by Hui Liu

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2024 Shuixiu Wen, Yuxin Zhao, Xinyu Qi

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, Mingzhu Cai, Kaisheng Huang, Hui Liu

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ORCID

Conformational plasticity of SpyCas9 induced by AcrIIA4 and AcrIIA2: Insights from molecular dynamics simulation

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2023 Hui Liu

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, Ye Jin, Hanjing Ding

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MDBuilder: a PyMOL plugin for the preparation of molecular dynamics simulations

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2021 Ercheng Wang, Weitao Fu, Dejun Jiang

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, Huiyong Sun, Junmei Wang

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, Xujun Zhang, Gaoqi Weng, Hui Liu

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, Peng Tao, Tingjun Hou

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VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein–Ligand Binding Free Energy Calculations

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2020 Ercheng Wang, Hui Liu

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, Junmei Wang, Gaoqi Weng, Huiyong Sun

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, Zhe Wang, Yu Kang, Tingjun Hou

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Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein–Ligand Binding Affinities

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2019 Hanjing Ding

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, Hui Liu

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Mapping the Binding Hot Spots on Human Programmed Cell Death 1 and Its Ligand with Free-Energy Simulations

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Ercheng Wang, Huiyong Sun

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, Zhe Wang, Hui Liu

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, John Z. H. Zhang

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End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

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