Weiwei Han

发表

Effects of Tyr555 and Trp678 on the processivity of cellobiohydrolase A from Ruminiclostridium thermocellum: A simulation study

Yaming Shan, S. Guan, Song Wang, 2018, Biopolymers.

Exploring the Molecular Basis for Selective Binding of Homoserine Dehydrogenase from Mycobacterium leprae TN toward Inhibitors: A Virtual Screening Study

Dongmei Wang, Weiwei Han, Weihong Min, 2014, International journal of molecular sciences.

Why Is a High Temperature Needed by Thermus thermophilus Argonaute During mRNA Silencing: A Theoretical Study

Dong Xu, Song Wang, Ye Liu, 2018, Front. Chem..

Toward Repurposing Metformin as a Precision Anti-Cancer Therapy Using Structural Systems Pharmacology

Zhongming Zhao, Lei Xie, Hua Xu, 2016, Scientific Reports.

Understanding the differences of the ligand binding/unbinding pathways between phosphorylated and non-phosphorylated ARH1 using molecular dynamics simulations

Dong Xu, Weiwei Han, Jingxuan Zhu, 2017, Scientific Reports.

Exploring the different ligand escape pathways in acylaminoacyl peptidase by random acceleration and steered molecular dynamics simulations

Yang Dong, Jingxuan Zhu, Weiwei Han, 2016 .

Molecular Dynamics Simulations of Acylpeptide Hydrolase Bound to Chlorpyrifosmethyl Oxon and Dichlorvos

Zhenhua Zhou, S. Guan, Dongmei Wang, 2015, International journal of molecular sciences.

Exploring stereochemical specificity of phosphotriesterase by MM-PBSA and MM-GBSA calculation and steered molecular dynamics simulation

Xin Li, Weiwei Han, Hanyong Jin, 2017, Journal of biomolecular structure & dynamics.

Insights from molecular dynamics simulations and steered molecular dynamics simulations to exploit new trends of the interaction between HIF-1α and p300

Xiaopian Tian, Ye Liu, Weiwei Han, 2020, Journal of biomolecular structure & dynamics.

Prostaglandin E2 binding peptide screened by phage displaying: a new therapeutic strategy in rheumatoid arthritis

Xiao Han, D. Yan, Xun Zhu, 2011, Lipids in Health and Disease.

The formation mechanism of a sea cucumber ovum derived heptapeptide-calcium nanocomposite and its digestion/absorption behavior.

B. Zhu, Songyi Lin, Weiwei Han, 2019, Food & function.

Understanding the Phosphorylation Mechanism by Using Quantum Chemical Calculations and Molecular Dynamics Simulations.

Dong Xu, Song Wang, Weiwei Han, 2017, The journal of physical chemistry. B.

Models for the binding channel of wild type and mutant transthyretin with glabridin

Yingjie Guo, Weiwei Han, Jingxuan Zhu, 2016 .

Characterization of the PH1704 Protease from Pyrococcus horikoshii OT3 and the Critical Functions of Tyr120

Yan Feng, Weiwei Han, Dongling Zhan, 2014, PloS one.

Stereoselectivity of phosphotriesterase with paraoxon derivatives: a computational study

S. Guan, Song Wang, Weiwei Han, 2016, Journal of biomolecular structure & dynamics.

2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2012, Philadelphia, USA, October 4-7, 2012

Pablo Moscato, Giovanni De Micheli, Wenqi You, 2012, BIBM Workshops.

Adaptive Steered Molecular Dynamics Combined With Protein Structure Networks Revealing the Mechanism of Y68I/G109P Mutations That Enhance the Catalytic Activity of D-psicose 3-Epimerase From Clostridium Bolteae

Ye Liu, Weiwei Han, Zhengfei Yu, 2018, Front. Chem..

Random acceleration and steered molecular dynamics simulations reveal the (un)binding tunnels in adenosine deaminase and critical residues in tunnels

Honglan Huang, Weiwei Han, Minghao Li, 2020, RSC advances.

Exploration of Catalytic Selectivity for Aminotransferase (BtrR) Based on Multiple Molecular Dynamics Simulations

Zuoming Zhang, Y. Wan, Ye Liu, 2019, International journal of molecular sciences.

Understanding the interactions of different substrates with wild-type and mutant acylaminoacyl peptidase using molecular dynamics simulations

Xin Li, Weiwei Han, Jingxuan Zhu, 2018, Journal of biomolecular structure & dynamics.

Molecular Modeling and MM-PBSA Free Energy Analysis of Endo-1,4-β-Xylanase from Ruminococcus albus 8

S. Guan, Weiwei Han, Hanyong Jin, 2014, International journal of molecular sciences.

Binding modes of phosphotriesterase-like lactonase complexed with δ-nonanoic lactone and paraoxon using molecular dynamics simulations

Yaming Shan, S. Guan, Song Wang, 2017, Journal of biomolecular structure & dynamics.

Homology modeling and docking studies of ENPP4: a BCG activated tumoricidal macrophage protein

D. Yan, Zheng Jin, Yuan Tian, 2016, Lipids in Health and Disease.

Mechanistic Insights into the Effect of Ligands on Structural Stability and Selectivity of Sulfotransferase 2A1 (SULT2A1)

Weiwei Han, Jingxuan Zhu, Li Zhao, 2019, ACS omega.

Neural relational inference to learn allosteric long-range interactions in proteins from molecular dynamics simulations

Dong Xu, Jingxuan Zhu, Weiwei Han, 2021, bioRxiv.

How Different Substitution Positions of F, Cl Atoms in Benzene Ring of 5-Methylpyrimidine Pyridine Derivatives Affect the Inhibition Ability of EGFRL858R/T790M/C797S Inhibitors: A Molecular Dynamics Simulation Study

S. Guan, Song Wang, Hao Zhang, 2020, Molecules.

How Di ﬀ erent Substitution Positions of F, Cl Atoms in Benzene Ring of 5-Methylpyrimidine Pyridine Derivatives A ﬀ ect the Inhibition Ability of EGFR L858R / T790M / C797S Inhibitors: A Molecular Dynamics Simulation Study

Hao Zhang, S. Guan, Song Wang, 2020 .

Theoretical Study on the Allosteric Regulation of an Oligomeric Protease from Pyrococcus horikoshii by Cl− Ion

Yan Feng, Weiwei Han, Dongling Zhan, 2014, Molecules.

Probing inhibition mechanisms of adenosine deaminase by using molecular dynamics simulations

Xiaopian Tian, Ye Liu, Weiwei Han, 2018, PloS one.

Insight into the interactive residues between two domains of human somatic Angiotensin-converting enzyme and Angiotensin II by MM-PBSA calculation and steered molecular dynamics simulation

Yaming Shan, S. Guan, Song Wang, 2016, Journal of biomolecular structure & dynamics.

Neural relational inference to learn long-range allosteric interactions in proteins from molecular dynamics simulations

Juexin Wang, Weiwei Han, Jingxuan Zhu, 2022, Nature Communications.

Computational Study on the Effect of Inactivating/Activating Mutations on the Inhibition of MEK1 by Trametinib

Weiwei Han, Jingxuan Zhu, Congcong Li, 2020, International journal of molecular sciences.

Cloning, Expression and Characterization of a Novel Thermophilic Polygalacturonase from Caldicellulosiruptor bescii DSM 6725

Zuoming Zhang, B. Zheng, Zhi Wang, 2014, International journal of molecular sciences.

Cloning, Expression, and Characterization of a Thermophilic Endoglucanase, AcCel12B from Acidothermus cellulolyticus 11B

Zuoming Zhang, Yan Feng, Weiwei Han, 2015, International journal of molecular sciences.

Molecular Dynamic Simulations of Bromodomain and Extra-Terminal Protein 4 Bonded to Potent Inhibitors

Yi He, Weiwei Han, Zhi Wang, 2021, Molecules.

A calcium delivery system assembled by nanostructured peptide derived from sea cucumber ovum.

B. Zhu, Songyi Lin, Weiwei Han, 2019, Journal of agricultural and food chemistry.

Computer-Aided Screening and Revealing Action Mechanism of Green Tea Polyphenols Intervention in Alzheimer’s Disease

Weiwei Han, Yilin Gao, Min Wang, 2023, Foods.

Molecular mechanisms of metal ions in regulating the catalytic efficiency of D-psicose 3-epimerase revealed by multiple short molecular dynamic simulations and free energy predictions

Weiwei Han, Jin Tao, Yi Li, 2020, Journal of biomolecular structure & dynamics.

Prediction of hyaluronic acid target on sucrase-isomaltase (SI) with reverse docking and molecular dynamics simulations for inhibitors binding to SI

Weiwei Han, K. Qian, Xiao Li, 2021, PloS one.

Targeting N-Terminal Human Maltase-Glucoamylase to Unravel Possible Inhibitors Using Molecular Docking, Molecular Dynamics Simulations, and Adaptive Steered Molecular Dynamics Simulations

Xueqi Fu, Song Wang, Weiwei Han, 2021, Frontiers in Chemistry.

Structural basis of polypharmacological effects of metformin

Lei Xie, Weiwei Han, Lei Xie, 2012, 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops.

Molecular Dynamics Simulations and Steered Molecular Dynamics Simulations of Glabridin Bound to Wild Type and V30A Mutant Transthyretin: Ligand-linked Perturbation of Tertiary Conformation

Xiaopian Tian, Ye Liu, Weiwei Han, 2018, Chemical Research in Chinese Universities.

How oncogenic mutations activate human MAP kinase 1 (MEK1): a molecular dynamics simulation study

Dong Xu, Jianjiong Gao, Ye Liu, 2019, Journal of biomolecular structure & dynamics.

Investigating the substrate binding mechanism of sulfotransferase 2A1 based on substrate tunnel analysis: a molecular dynamics simulation study

Shiyang Long, P. Tian, Weiwei Han, 2016, Journal of Molecular Modeling.

Neural relational inference to learn allosteric long-range interactions in proteins from molecular dynamics simulations

Dong Xu, Juexin Wang, Weiwei Han, 2021, bioRxiv.

The activation and differential signalling of the growth hormone receptor induced by pGH or anti-idiotypic monoclonal antibodies in primary rat hepatocytes

Jingsheng Liu, Weiwei Han, Xin Zheng, 2013, Molecular and Cellular Endocrinology.

Exploration of the chlorpyrifos escape pathway from acylpeptide hydrolases using steered molecular dynamics simulations

Zuoming Zhang, S. Guan, Dongmei Wang, 2016, Journal of biomolecular structure & dynamics.

Extraction, Radical Scavenging Activities, and Chemical Composition Identification of Flavonoids from Sunflower (Helianthus annuus L.) Receptacles

Weiwei Han, M. Yan, Huining Dai, 2021, Molecules.

The PT/S-Box of Modular Cellulase AcCel12B Plays a Key Role in the Hydrolysis of Insoluble Cellulose

Zuoming Zhang, Limei Wang, Weiwei Han, 2018 .

Leveraging Systematic Functional Analysis to Benchmark an In Silico Framework Distinguishes Driver from Passenger MEK Mutants in Cancer

Omar Abdel-Wahab, Abigail N. Poteshman, Dong Xu, 2020, Cancer Research.

Probing the Mechanisms of Inhibitors Binding to Presenilin Homologue Using Molecular Dynamics Simulations

Kai Liu, Weiwei Han, Yingying Ma, 2023, Molecules.

Understanding the differences of the ligand binding/unbinding pathways between phosphorylated and non-phosphorylated ARH1 using molecular dynamics simulations

Dong Xu, Weiwei Han, Jingxuan Zhu, 2017, Scientific Reports.

In silico study to predict potential precursors of human dipeptidyl peptidase-IV inhibitors from hazelnut

Song Wang, Jiawei Yuan, Weiwei Han, 2021, Journal of Biomolecular Structure and Dynamics.

Theoretical Study on Zearalenol Compounds Binding with Wild Type Zearalenone Hydrolase and V153H Mutant

Zuoming Zhang, Xiaopian Tian, Ye Liu, 2018, International journal of molecular sciences.

Structural Basis of Fullerene Derivatives as Novel Potent Inhibitors of Protein Tyrosine Phosphatase 1B: Insight into the Inhibitory Mechanism through Molecular Modeling Studies

Hao Zhang, Song Wang, Mengdan Qian, 2016, J. Chem. Inf. Model..

The Effect of Conformational Variability of Phosphotriesterase upon N-acyl-L-homoserine Lactone and Paraoxon Binding: Insights from Molecular Dynamics Studies

Zhenhua Zhou, S. Guan, Weiwei Han, 2013, Molecules.

Molecular Dynamics Simulations Study of the Interactions between Human Dipeptidyl-Peptidase III and Two Substrates

Xueqi Fu, Weiwei Han, Shi-tao Zhang, 2021, Molecules.

Characterization of a Thermophilic Monosaccharide Stimulated β-Glucosidase from Acidothermus cellulolyticus

Zuoming Zhang, Yan Feng, Weiwei Han, 2018, Chemical Research in Chinese Universities.

Investigating the Vital Role of the Identified Abietic Acid from Helianthus annuus L. Calathide Extract against Hyperuricemia via Human Embryonic Kidney 293T Cell Model

Xueqi Fu, Weiwei Han, Huining Dai, 2023, Molecules.

Conformational Changes of Glutamine 5′-Phosphoribosylpyrophosphate Amidotransferase for Two Substrates Analogue Binding: Insight from Conventional Molecular Dynamics and Accelerated Molecular Dynamics Simulations

Jiawei Yuan, Weiwei Han, Siao Chen, 2021, Frontiers in Chemistry.

ERRATUM: "COMPUTATIONAL STUDIES OF SQUALENE SYNTHASE FROM PANAX GINSENG: HOMOLOGY MODELING, DOCKING STUDY AND VIRTUAL SCREENING FOR A NEW INHIBITOR"

Hang Sun, Weiwei Han, Dongling Zhan, 2012 .

Network Pharmacology Combined with Machine Learning to Reveal the Action Mechanism of Licochalcone Intervention in Liver Cancer

Weiwei Han, Xiaotang Yang, Fangfang Guo, 2023, International journal of molecular sciences.

Exploration of the cofactor specificity of wild-type phosphite dehydrogenase and its mutant using molecular dynamics simulations

Hong Wang, Weiwei Han, Kun-Chin Liu, 2021, RSC advances.