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All papers authored by Qifeng Bai

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2023 Suya Jin, Guiyan Liu, Qifeng Bai

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Deep Learning in COVID-19 Diagnosis, Prognosis and Treatment Selection

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2022 Yuquan Li

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, Chang-Yu Hsieh, Ruiqiang Lu, Xiaoqing Gong, Xiaorui Wang, Pengyong Li

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, Shuo Liu, Yanan Tian, Dejun Jiang

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, Jiaxian Yan, Qifeng Bai

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, Huanxiang Liu, Shengyu Zhang, Xiaojun Yao

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An adaptive graph learning method for automated molecular interactions and properties predictions

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Sha Zhu

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, Qifeng Bai

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, Lanqing Li, Tingyang Xu

Drug repositioning in drug discovery of T2DM and repositioning potential of antidiabetic agents

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Liya Feng, Horacio Pérez-Sánchez, Qifeng Bai

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Studying noncovalent or covalent bond problem between smoothened and cholesterol by molecular dynamics simulation and Markov state model

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2021 Qifeng Bai

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, Shuo Liu, Yanan Tian, Tingyang Xu, Antonio Jesús Banegas‐Luna, Horacio Pérez‐Sánchez

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, Junzhou Huang, Huanxiang Liu, Xiaojun Yao

Application advances of deep learning methods for de novo drug design and molecular dynamics simulation

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Xiaoli An, Qifeng Bai

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, Zhitong Bing, Huanxiang Liu, Xiaojun Yao

Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations

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Qifeng Bai

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, Jian Ma, Shuo Liu, Tingyang Xu, Antonio Jesús Banegas-Luna, Horacio Pérez-Sánchez, Yanan Tian, Junzhou Huang, Huanxiang Liu, Xiaojun Yao

WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm

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2020 Qifeng Bai

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, Shuoyan Tan, Tingyang Xu, Huanxiang Liu, Junzhou Huang, Xiaojun Yao

MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

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Qifeng Bai

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Research and development of MolAICal for drug design via deep learning and classical programming

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Xiaoli An, Qifeng Bai

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, Zhitong Bing, Hongli Liu, Qianqian Zhang, Huanxiang Liu

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Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations

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Hong Yuan, Pinghua Li, Huifang Bao, Pu Sun, Xingwen Bai, Qifeng Bai

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, Na Li, Xueqing Ma, Yimei Cao, Yuanfang Fu, Kun Li, Jing Zhang, Dong Li, Yingli Chen, Jie Zhang and 2 other authors

Engineering viable foot-and-mouth disease viruses with increased acid stability facilitate the development of improved vaccines

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2019 Qifeng Bai

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, Shuoyan Tan, Horacio Pérez-Sánchez, Haixia Feng, Liya Feng, HuanXiang Liu, Xiaojun Yao

Conformation Transition of Intracellular Part of Glucagon Receptor in Complex With Agonist Glucagon by Conventional and Accelerated Molecular Dynamics Simulations

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Danfeng Shi, Xiaoli An, Qifeng Bai

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, Zhitong Bing, Shuangyan Zhou, Huanxiang Liu, Xiaojun Yao

Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship

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Xiaoli An, Qifeng Bai

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, Fang Bai, Danfeng Shi, Huanxiang Liu, Xiaojun Yao

Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation

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Xing-Wen Bai, Hui-Fang Bao, Ping-Hua Li, Xue-Qing Ma, Pu Sun, Qi-Feng Bai

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, Meng Zhang, Hong Yuan, Dong Chen, Kun Li, Ying-Li Chen, Yi-Mei Cao, Yuan-Fang Fu, Jing Zhang, Dong Li and 3 other authors

Engineering Responses to Amino Acid Substitutions in the VP0- and VP3-Coding Regions of PanAsia-1 Strains of Foot-and-Mouth Disease Virus Serotype O

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Jintu Zhang, Qifeng Bai

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, Horacio Pérez-Sánchez, Shuxia Shang, Xiaoli An, Xiaojun Yao

Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model

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2018 Xiaoli An, Qifeng Bai

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, Zhitong Bing, Shuangyan Zhou, Danfeng Shi, Huanxiang Liu

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How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the κ-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation

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Qifeng Bai

ORCID

, Horacio Pérez-Sánchez, Zhuoyu Shi, Lanlan Li, Danfeng Shi, Huanxiang Liu, Xiaojun Yao

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Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulations

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2017 Hong Yuan, Pinghua Li, Xueqing Ma, Zengjun Lu, Pu Sun, Xingwen Bai, Jing Zhang, Huifang Bao, Yimei Cao, Dong Li, Yuanfang Fu, Yingli Chen, Qifeng Bai

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, Jie Zhang, Zaixin Liu

The pH stability of foot-and-mouth disease virus

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Danfeng Shi, Qifeng Bai

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, Shuangyan Zhou, Xuewei Liu, Huanxiang Liu, Xiaojun Yao

ORCID

Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity

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