Xiaoli An

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 Simulations Study on the Resistant Mechanism of Insects to Imidacloprid due to Y151‐S and R81T Mutations in nAChRs

Xiaoli An, Huanxiang Liu, Jiaqi Tian, 2019, Molecular informatics.

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

Xiaoli An, Qifeng Bai, X. Yao, 2019, Physical chemistry chemical physics : PCCP.

Uncovering the Resistance Mechanism of Mycobacterium tuberculosis to Rifampicin Due to RNA Polymerase H451D/Y/R Mutations From Computational Perspective

Xiaoli An, Huanxiang Liu, Tong Xiao, 2019, Front. Chem..

Study on the anti-tumor mechanism related to immune microenvironment of Bombyx Batryticatus on viral and non-viral infections of hepatocellular carcinoma.

Kehu Yang, Xiaoli An, Zhitong Bing, 2020, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

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

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

Classical molecular dynamics and metadynamics simulations decipher the mechanism of CBP30 selectively inhibiting CBP/p300 bromodomains.

Xiaoli An, Qianqian Wang, Liang Liu, 2018, Organic & biomolecular chemistry.

Loss of RPS27a expression regulates cell cycle, apoptosis, and proliferation via the RPS27a-RPL11-MDM2-p53 pathway in lung adenocarcinoma cells

Xiaoli An, Zhitong Bing, Hong Zhang, 2021 .

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.

Interaction mechanism exploration of R-bicalutamide/S-1 with WT/W741L AR using molecular dynamics simulations.

Huanxiang Liu, Jiazhong Li, Shuyan Li, 2015, Molecular bioSystems.

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.

Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs?

Shaoyong Lu, Jian Zhang, Kun Song, 2018, J. Chem. Inf. Model..

Loss of RPS27a expression regulates the cell cycle, apoptosis, and proliferation via the RPL11-MDM2-p53 pathway in lung adenocarcinoma cells

Xiaoli An, Zhitong Bing, Hong Zhang, 2022, Journal of Experimental & Clinical Cancer Research.

Revealing the positive binding cooperativity mechanism between the orthosteric and the allosteric antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations.

Xiaoli An, Qifeng Bai, Zhitong Bing, 2020, ACS chemical neuroscience.

Loss of RPS27a expression regulates the cell cycle, apoptosis, and proliferation via the RPL11-MDM2-p53 pathway in lung adenocarcinoma cells

Xiaoli An, Zhitong Bing, Hong Zhang, 2022, Journal of experimental & clinical cancer research : CR.

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.

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 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.

Classical molecular dynamics and metadynamics simulations decipher the mechanism of CBP30 selectively inhibiting CBP/p300 bromodomains.

Xiaoli An, Qianqian Wang, Liang Liu, 2018, Organic & biomolecular chemistry.