Yang Zhou

发表

Characterization of the binding mode of the PET tracer [18F]ASEM to a chimera structure of the α7 nicotinic acetylcholine receptor

H. Ågren, B. Långström, C. Halldin, 2017 .

Discovery of an Orally Active and Long-acting DPP-IV Inhibitor through Property-based Optimization with an in silico Biotransformation Prediction Tool.

Wenhui Hu, Xin Zhao, Manna Li, 2020, ChemMedChem.

Discovery of Highly Potent Pinanamine-Based Inhibitors against Amantadine- and Oseltamivir-Resistant Influenza A Viruses.

Chunlong Ma, Jun Wang, Zi-feng Yang, 2018, Journal of medicinal chemistry.

Mechanistic insights into peptide and ligand binding of the ATAD2-bromodomain via atomistic simulations disclosing a role of induced fit and conformational selection.

Yaoquan Tu, Guanglin Kuang, Yang Zhou, 2018, Physical chemistry chemical physics : PCCP.

Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators

Guixia Liu, Yun Tang, Yaoquan Tu, 2022, J. Chem. Inf. Model..

Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4

Yaoquan Tu, Junhao Li, G. Baryshnikov, 2022, J. Chem. Inf. Model..

Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils.

H. Ågren, A. Nordberg, N. A. Murugan, 2020, ACS chemical neuroscience.

Dissecting the Binding Profile of PET Tracers to Corticobasal Degeneration Tau Fibrils

H. Ågren, A. Nordberg, Junhao Li, 2021, ACS chemical neuroscience.

Targeted Treatments for Chronic Obstructive Pulmonary Disease (COPD) Using Low-Molecular-Weight Drugs (LMWDs).

Ke Ding, Xue Liang, Yang Zhou, 2019, Journal of medicinal chemistry.

Dissecting the Structural Plasticity and Dynamics of Cytochrome P450 2B4 by Molecular Dynamics Simulations

Weihua Li, Yun Tang, Junhao Li, 2020, J. Chem. Inf. Model..

ATAD2 in cancer: a pharmacologically challenging but tractable target

Yaoquan Tu, H. A. Hameed, Hao Jiang, 2018, Expert opinion on therapeutic targets.

Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2

Yong Wang, Rongfeng Zou, Guanglin Kuang, 2020, J. Chem. Inf. Model..

Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes

Yang Zhou, Rongfeng Zou, Guanglin Kuang, 2019, J. Chem. Inf. Model..

Mechanistic insights into peptide and ligand binding of the ATAD2-bromodomain via atomistic simulations disclosing a role of induced fit and conformational selection.

Yaoquan Tu, Guanglin Kuang, Yang Zhou, 2018, Physical chemistry chemical physics : PCCP.

In silico studies of ASEM analogues targeting α7-nAChR and experimental verification

H. Ågren, B. Långström, C. Halldin, 2021, RSC advances.