Guanglin Kuang

发表

Identifying the structural features and diversifying the chemical domain of peripherally acting CB1 receptor antagonists using molecular modeling techniques

Yun Tang, P. Murumkar, M. Yadav, 2016 .

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 .

In silico investigation of interactions between human cannabinoid receptor-1 and its antagonists

Weihua Li, Guixia Liu, Yun Tang, 2012, Journal of Molecular Modeling.

A High Affinity Red Fluorescence and Colorimetric Probe for Amyloid β Aggregates

H. Ågren, Nagarjun Narayanaswamy, T. Govindaraju, 2016, Scientific Reports.

Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P3 with the pleckstrin homology domain of an oomycete cellulose synthase

Yaoquan Tu, V. Bulone, Guanglin Kuang, 2016, Scientific Reports.

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.

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.

Insights into the synergistic mechanism of target resistance: A case study of N. lugens RDL-GABA receptors and fipronil.

Hongbin Yang, Zhong Li, Jiagao Cheng, 2020, Biophysical chemistry.

Theoretical study of the binding profile of an allosteric modulator NS-1738 with a chimera structure of the α7 nicotinic acetylcholine receptor.

H. Ågren, B. Långström, C. Halldin, 2016, Physical chemistry chemical physics : PCCP.

Structural and functional characterization of the microtubule interacting and trafficking domains of two oomycete chitin synthases

Yaoquan Tu, V. Srivastava, V. Bulone, 2016, The FEBS journal.

Selective ligands of estrogen receptor β discovered using pharmacophore mapping and structure-based virtual screening

Lei Chen, Jin Huang, Wei-hua Li, 2014, Acta Pharmacologica Sinica.

Investigation of the Binding Profiles of AZD2184 and Thioflavin T with Amyloid-β(1-42) Fibril by Molecular Docking and Molecular Dynamics Methods.

H. Ågren, A. Nordberg, Yaoquan Tu, 2015, The journal of physical chemistry. B.

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..

Mechanistic Insight into the Binding Profile of DCVJ and α-Synuclein Fibril Revealed by Multiscale Simulations.

Hans Ågren, N Arul Murugan, H. Ågren, 2018, ACS chemical neuroscience.

A theoretical study on the molecular determinants of the affibody protein Z(Aβ3) bound to an amyloid β peptide.

H. Ågren, Xu Wang, Yaoquan Tu, 2015, Physical chemistry chemical physics : PCCP.

Free Energy Profile for Penetration of Pittsburgh Compound-B into the Amyloid β Fibril.

H. Ågren, B. Långström, A. Nordberg, 2019, ACS chemical neuroscience.

Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening

Guixia Liu, Yun Tang, Weihua Li, 2012, 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.

Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P3 with the pleckstrin homology domain of an oomycete cellulose synthase

Yaoquan Tu, V. Bulone, Guanglin Kuang, 2016, Scientific Reports.

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

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

Discovery and structure-activity analysis of selective estrogen receptor modulators via similarity-based virtual screening.

Jin Huang, Yun Tang, Guixia Liu, 2012, European journal of medicinal chemistry.