H. C. S. Chan

发表

Designing Safer Analgesics via μ-Opioid Receptor Pathways.

K. Palczewski, Shuguang Yuan, H. C. S. Chan, 2017, Trends in pharmacological sciences.

Implementing WebGL and HTML5 in Macromolecular Visualization and Modern Computer-Aided Drug Design.

Shuguang Yuan, H. C. Stephen Chan, Shuguang Yuan, 2017, Trends in biotechnology.

PyMOL and Inkscape Bridge the Data and the Data Visualization.

Shuguang Yuan, Slawomir Filipek, Horst Vogel, 2016, Structure.

Rationalization of stereoselectivity in enzyme reactions

Shuguang Yuan, H. C. S. Chan, Lu Pan, 2018, WIREs Computational Molecular Science.

Enhancing the Signaling of GPCRs via Orthosteric Ions

Shuguang Yuan, H. Vogel, H. C. S. Chan, 2020, ACS central science.

Translocation Mechanism of Allosteric Sodium Ions in β2-Adrenoceptor

Shuguang Yuan, H. C. S. Chan, Xueying Wang, 2022, J. Chem. Inf. Model..

The Principles of Ligand Specificity on beta-2-adrenergic receptor

S. Filipek, Shuguang Yuan, H. C. S. Chan, 2016, Scientific Reports.

Advancing Drug Discovery via Artificial Intelligence.

Shuguang Yuan, Horst Vogel, Hanbin Shan, 2019, Trends in pharmacological sciences.

Predictability of the polymorphs of small organic compounds: crystal structure predictions of four benchmark blind test molecules.

F. Leusen, J. Kendrick, H. C. S. Chan, 2011, Physical chemistry chemical physics : PCCP.

Can picolinamide be a promising cocrystal former

Richard A. Lewis, M. Schmidt, H. C. S. Chan, 2014 .

Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.

M. Reetz, Shuguang Yuan, M. Bocola, 2018, Journal of the American Chemical Society.

MolADI: A Web Server for Automatic Analysis of Protein–Small Molecule Dynamic Interactions

Shuguang Yuan, H. C. S. Chan, Rongfeng Zou, 2021, Molecules.

Using PyMOL as a platform for computational drug design

Shuguang Yuan, H. C. Stephen Chan, Zhenquan Hu, 2017 .

Clinical HDAC Inhibitors Are Effective Drugs to Prevent the Entry of SARS-CoV2

Shuguang Yuan, X. Shao, Hongchang Li, 2020, ACS pharmacology & translational science.

The role of metal ions in G protein‐coupled receptor signalling and drug discovery

Shuguang Yuan, H. Vogel, H. C. S. Chan, 2021, WIREs Computational Molecular Science.

New Binding Sites, New Opportunities for GPCR Drug Discovery.

Shuguang Yuan, Horst Vogel, Thamani Dahoun, 2019, Trends in biochemical sciences.

Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and paracetamol multi-component crystals

F. Leusen, J. Kendrick, H. C. S. Chan, 2013 .

Experimental and theoretical investigations of the polymorphism of 5-chloroacetoxybenzoic acid (5-chloroaspirin)

R. Montis, F. Leusen, J. Kendrick, 2012 .

Molecule VI, a benchmark crystal-structure-prediction sulfonimide: are its polymorphs predictable?

F. Leusen, J. Kendrick, H. C. S. Chan, 2011, Angewandte Chemie.

Accurate Physical Property Predictions via Deep Learning

Shiyu Wang, B. Bai, Shuguang Yuan, 2022, Molecules.

The Molecular Mechanism of P2Y1 Receptor Activation

R. Stevens, K. Palczewski, S. Filipek, 2016, Angewandte Chemie.

Exploring a new ligand binding site of G protein-coupled receptors† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc01680a

K. Palczewski, S. Filipek, Zhi-jie Liu, 2018, Chemical science.

Polymorph prediction of organic (co-) crystal structures from a thermodynamic perspective

H. C. S. Chan, 2012 .

GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection

Shuguang Yuan, H. C. S. Chan, Y. Igarashi, 2017, Nature Communications.