Shuangyan Zhou

发表

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

Danfeng Shi, Xiaoli An, Qifeng Bai, 2019, Front. Chem..

Molecular Dynamics Simulation of Transmembrane Transport of Chloride Ions in Mutants of Channelrhodopsin

Shuangyan Zhou, Shuai Yuan, Y. Dou, 2019, Biomolecules.

Exploration of the Misfolding Mechanism of Transthyretin Monomer: Insights from Hybrid-Resolution Simulations and Markov State Model Analysis

Shuangyan Zhou, Shuai Yuan, Y. Dou, 2019, Biomolecules.

Understanding the structural and energetic basis of PD-1 and monoclonal antibodies bound to PD-L1: A molecular modeling perspective.

Danfeng Shi, Shuangyan Zhou, Huanxiang Liu, 2018, Biochimica et biophysica acta. General subjects.

Wortmannine F and G, two new pyranones from Talaromyces wortmannii LGT-4, the endophytic fungus of Tripterygium wilfordii

Shuangyan Zhou, X. Yao, Shuo Li, 2019, Phytochemistry Letters.

New sesquiterpenes and benzofuran derivatives from the aerial parts of Asterothamnus centrali-asiaticus

Shuangyan Zhou, Yan-ping Shi, Y. Tao, 2016 .

Molecular Dynamics Simulation Study on the Binding and Stabilization Mechanism of Antiprion Compounds to the "Hot Spot" Region of PrPC.

Xiaoli An, Shuangyan Zhou, Huanxiang Liu, 2017, ACS chemical neuroscience.

New Abietane and Kaurane Type Diterpenoids from the Stems of Tripterygium regelii

Shuangyan Zhou, Zhi-Hong Jiang, Li-Ping Bai, 2017, International journal of molecular sciences.

Atomic Mechanisms of Transthyretin Tetramer Dissociation Studied by Molecular Dynamics Simulations

Shuangyan Zhou, Shuai Yuan, G. Lo, 2022, J. Chem. Inf. Model..

Molecular dynamics simulation on the inhibition mechanism of peptide‐based inhibitor of islet amyloid polypeptide (IAPP) to islet amyloid polypeptide (IAPP22–28) oligomers

Shuangyan Zhou, Huanxiang Liu, X. Yao, 2017, Chemical biology & drug design.

Aphapolins A and B: Two Nemoralisin Diterpenoids Isolated from Aphanamixis polystachya (Wall.) R. Parker

Shuangyan Zhou, X. Yao, Ya Li, 2017 .

Two Stemona alkaloids from Stemona sessilifolia (Miq.) Miq.

Shuangyan Zhou, Jianhua Dong, Hai‐tao Yu, 2017 .

High-Affinity Antibodies Designing of SARS-CoV-2 Based on Molecular Dynamics Simulations

Shuangyan Zhou, Zengyan Xie, Hongtao Liu, 2022, International journal of molecular sciences.

Colletotrilactam A-D, novel lactams from Colletotrichum gloeosporioides GT-7, a fungal endophyte of Uncaria rhynchophylla.

Shuangyan Zhou, Hai‐tao Yu, X. Yao, 2016, Fitoterapia.

A new furanosteroid from Talaromyces sp. lgt-4, a fungal endophyte isolated from Tripterygium wilfordii

Shuangyan Zhou, X. Yao, Shuo Li, 2016, Natural product research.

Secovironolide, a novel furanosteroid scaffold with a five-membered B ring from the endophytic fungus Talaromyces wortmannii LGT-4

Shuangyan Zhou, X. Yao, Li Sheng, 2015 .

Molecular dynamics simulations and novel drug discovery

Hongli Liu, Xiaojun Yao, Huanxiang Liu, 2018, Expert opinion on drug discovery.

Protective V127 prion variant prevents prion disease by interrupting the formation of dimer and fibril from molecular dynamics simulations

Danfeng Shi, Shuangyan Zhou, Huanxiang Liu, 2016, Scientific Reports.

Conventional molecular dynamics and metadynamics simulation studies of the binding and unbinding mechanism of TTR stabilizers AG10 and tafamidis.

Shuangyan Zhou, Shuai Yuan, Y. Dou, 2020, ACS chemical neuroscience.

Experimental and Theoretical Insights into the Inhibition Mechanism of Prion Fibrillation by Resveratrol and its Derivatives.

Xiaoli An, Qifeng Bai, Shuangyan Zhou, 2017, ACS chemical neuroscience.

Ervatamines A-I, Anti-inflammatory Monoterpenoid Indole Alkaloids with Diverse Skeletons from Ervatamia hainanensis.

Shuangyan Zhou, X. Yao, K. Gao, 2015, Journal of natural products.

Wortmannines A-C, three novel wortmannin derivatives with an unusual five-membered B ring from the endophytic fungus Talaromyces wortmannii LGT-4

Shuangyan Zhou, Jianguo Fang, Hai‐tao Yu, 2016 .

Unraveling the molecular mechanism of prion H2 C-terminus misfolding by metadynamics simulations.

Shuangyan Zhou, Huanxiang Liu, Hongli Liu, 2020, ACS chemical neuroscience.

Influence of EGCG on α‐synuclein (αS) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation

Danfeng Shi, Qifeng Bai, Shuangyan Zhou, 2018, Chemical biology & drug design.

Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations

Xiaojun Yao, Yongchang Zhu, Huanxiang Liu, 2019, J. Chem. Inf. Model..

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

Huanxiang Liu, Qifeng Bai, Xiaojun Yao, 2018, Proteins.

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.

Danfeng Shi, Xiaoli An, Qifeng Bai, 2018, ACS chemical neuroscience.

The folding mechanism and key metastable state identification of the PrP127-147 monomer studied by molecular dynamics simulations and Markov state model analysis.

Shuangyan Zhou, Huanxiang Liu, X. Yao, 2017, Physical chemistry chemical physics : PCCP.

pH-Induced Misfolding Mechanism of Prion Protein: Insights from Microsecond-Accelerated Molecular Dynamics Simulations.

Danfeng Shi, Shuangyan Zhou, Huanxiang Liu, 2019, ACS chemical neuroscience.

The effect on ion channel of different protonation states of E90 in channelrhodopsin-2: a molecular dynamics simulation

Shuangyan Zhou, Shuai Yuan, Y. Dou, 2021, RSC advances.

Experimental and Theoretical Insights into the Inhibition Mechanism of Prion Fibrillation by Resveratrol and its Derivatives.

Xiaoli An, Qifeng Bai, Shuangyan Zhou, 2017, ACS Chemical Neuroscience.

Disclosing the Mechanism of Spontaneous Aggregation and Template-Induced Misfolding of the Key Hexapeptide (PHF6) of Tau Protein Based on Molecular Dynamics Simulation.

Shuangyan Zhou, Huanxiang Liu, Xiaojun Yao, 2019, ACS chemical neuroscience.

Disclosing the Template-Induced Misfolding Mechanism of Tau Protein by Studying the Dissociation of the Boundary Chain from the Formed Tau Fibril Based on a Steered Molecular Dynamics Simulation.

Xiaoli An, Shuangyan Zhou, Huanxiang Liu, 2019, ACS chemical neuroscience.

Computational insights into the inhibition and destabilization of morin on the oligomer of full-length human islet amyloid polypeptide.

Zhide Hu, Shuangyan Zhou, Huanxiang Liu, 2015, Physical chemistry chemical physics : PCCP.