Xiaohui Yuan

发表

Molecular dynamics characterisations of the Trp-cage folding mechanisms: in the absence and presence of water solvents

Gang Yang, Y. Zu, Yu-jie Fu, 2012 .

Assessing the performance of the g_mmpbsa tools to simulate the inhibition of oseltamivir to influenza virus neuraminidase by molecular mechanics Poisson–Boltzmann surface area methods

Junqi Li, Zhiwei Yang, Xiaohui Yuan, 2019, Journal of the Chinese Chemical Society.

SUSCEPTIBILITY OF COMMERCIAL NEURAMINIDASE INHIBITORS AGAINST 2013 A/H7N9 INFLUENZA VIRUS: A DOCKING AND MOLECULAR DYNAMICS STUDY

Zhiwei Yang, Junxing Liu, Fei Wu, 2013 .

Molecular modeling and epitopes mapping of human adenovirus type 3 hexon protein.

Yanhong Tang, Yuehui Zhao, Lei Shang, 2009, Vaccine.

Bindings of PPARγ ligand-binding domain with 5-cholesten-3β, 25-diol, 3-sulfate: accurate prediction by molecular simulation

L. Meng, Zhiwei Yang, S. Ren, 2020, Journal of biomolecular structure & dynamics.

Binding profiles of cholesterol ester transfer protein with current inhibitors: a look at mechanism and drawback

Lei Zhang, Zhiwei Yang, S. Zhang, 2018, Journal of biomolecular structure & dynamics.

Novel binding patterns between ganoderic acids and neuraminidase: Insights from docking, molecular dynamics and MM/PBSA studies.

Lei Zhang, Zhiwei Yang, Fei Wu, 2016, Journal of molecular graphics & modelling.

Epitope Mapping of M36, a Human Antibody Domain with Potent and Broad HIV-1 Inhibitory Activity

D. Dimitrov, P. Prabakaran, Jianping Sun, 2013, PloS one.

Molecular Insights into the Recruiting Between UCP2 and DDX5/UBAP2L in the Metabolic Plasticity of Non-Small-Cell Lung Cancer

Lei Zhang, Shengli Zhang, Zhiwei Yang, 2021, J. Chem. Inf. Model..

The Trp-cage miniprotein with single-site mutations: Studies of stability and dynamics using molecular dynamics

Gang Yang, Y. Zu, Yu-jie Fu, 2011 .

Neutralization Epitopes in Trimer and Pentamer Complexes Recognized by Potent Cytomegalovirus-Neutralizing Human Monoclonal Antibodies

H. Liao, Xiaohui Yuan, Weihong Zheng, 2022, Microbiology spectrum.

Molecular Docking and Molecular Dynamics (MD) Simulation of Human Anti Complement Factor H (CFH) Antibody Ab42 and CFH Polypeptide (pCFH)

You-Wen He, Tong Liu, Xiaohui Yuan, 2018 .

Docking and molecular dynamics: simulation of the inhibition of H5N1 influenza virus (Anhui 2005) neuraminidase (NA) by chlorogenic acid (CHA)

Xiaomin, S. Ou, Junqi Li, 2019 .

Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain

H. Liao, Jing Li, Xiaojun Yao, 2021, Microbiology spectrum.

Key amino acid residues influencing binding affinities of pheromone binding protein from Athetis lepigone to two sex pheromones.

Ding-Ze Mang, Fan Zhang, Ya-Nan Zhang, 2020, Journal of agricultural and food chemistry.

Molecular Docking and Molecular Dynamics (MD) Simulation of Human Anti-Complement Factor H (CFH) Antibody Ab42 and CFH Polypeptide

Tong Liu, Wen-Wen Xu, You-Wen He, 2019, International journal of molecular sciences.

Computational Simulation of HIV Protease Inhibitors to the Main Protease (Mpro) of SARS-CoV-2: Implications for COVID-19 Drugs Design

Zhiwei Yang, Rongfeng Chen, Xiaohui Yuan, 2021, Molecules.

Computational and Experimental Approaches to Decipher the Binding Mechanism of General Odorant-Binding Protein 2 from Athetis lepigone to Chlorpyrifos and Phoxim.

Ya-Nan Zhang, Xiaohui Yuan, Jia-yi Ren, 2020, Journal of agricultural and food chemistry.

Novel Potent Neutralizing Antibodies Revealed the Domain I of HCMV Glycoprotein B for Vaccine Design

H. Liao, Zhiwei Yang, Xiaohui Yuan, 2021 .

Computational identification of potential chemoprophylactic agents according to dynamic behavior of peroxisome proliferator-activated receptor gamma

L. Meng, Zhiwei Yang, L. Jia, 2020, RSC advances.

Structural basis of tetanus toxin neutralization by native human monoclonal antibodies.

H. Liao, Xinquan Wang, Tong Liu, 2021, Cell reports.

Structure Based Affinity Maturation and Characterizing of SARS-CoV Antibody CR3022 against SARS-CoV-2 by Computational and Experimental Approaches

N. Zhong, Rongfeng Chen, Xiaohui Yuan, 2022, Viruses.

Molecular insights into the binding variance of the SARS-CoV-2 spike with human, cat and dog ACE2 proteins.

Zhiwei Yang, Xiaohui Yuan, Dongxiao Hao, 2021, Physical chemistry chemical physics : PCCP.