Area of research
Molecular Biology · Computational Theory and Mathematics
Research interest
Research interests include Receptor Mechanisms and Signaling, Computational Drug Discovery Methods, Neuropeptides and Animal Physiology, and Protein Structure and Dynamics.
Functional dynamics of G protein-coupled receptors reveal new routes for drug discovery.
Carrier-free nanoparticles based on natural products trigger dual "synergy and attenuation" for enhanced phototherapy of liver cancer.
Exploring Conformational Transitions in Biased and Balanced Ligand Binding of GLP-1R.
Rational Design Biased Compounds against μ‑Opioid Receptor.
Discovering Potent and Diverse Agonists for the β<sub>2</sub>‑Adrenergic Receptor via Machine Learning.
Identifying Potent Compounds Using Pairwise Consensus Methods.
NeBULA: a web-based novel drug design platform for up-to-date bioisosteric replacement
Correction: Enhancing multifunctional drug screening
<i>via</i>
artificial intelligence
Enhancing multifunctional drug screening
<i>via</i>
artificial intelligence
Computational drug development for membrane protein targets.
The structure and function of olfactory receptors.
<i>S</i>-nitrosylation of a receptor-like cytoplasmic kinase regulates plant immunity.
Structure of tetrameric forms of the serotonin-gated 5-HT3<sub>A</sub> receptor ion channel.
Machine Learning Deciphered Molecular Mechanistics with Accurate Kinetic and Thermodynamic Prediction.
Will the hype of automated drug discovery finally be realized?
Inhibitor screening for volume-sensitive LRRC8A chloride channel.
Celastrol Combats Methicillin-Resistant Staphylococcus aureus by Targeting Δ<sup>1</sup> -Pyrroline-5-Carboxylate Dehydrogenase.
Cryo-EM structure of human heptameric pannexin 2 channel.
Gallic Acid Restores the Sulfonamide Sensitivity of Multidrug-Resistant <i>Streptococcus suis</i> via Polypharmaceology Mechanism.
Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42.
Structure-Based Redesign of a Methanol Oxidase into an "Aryl Alcohol Oxidase" for Enzymatic Synthesis of Aromatic Flavor Compounds.
Modeling of Olfactory Receptors.
Molecular basis of ligand selectivity for melatonin receptors.
Ultrasound-assisted deep eutectic solvents extraction of glabridin and isoliquiritigenin from Glycyrrhiza glabra: Optimization, extraction mechanism and in vitro bioactivities.
MM/PB(GB)SA benchmarks on soluble proteins and membrane proteins.
Accurate Physical Property Predictions via Deep Learning.
A nanomedicine enables synergistic chemo/photodynamic therapy for pancreatic cancer treatment.
Engineering a Prokaryotic Non-P450 Hydroxylase for 3'-Hydroxylation of Flavonoids.
Translocation Mechanism of Allosteric Sodium Ions in β<sub>2</sub>-Adrenoceptor.
Molecular Mechanism of <i>Staphylococcus xylosus</i> Resistance Against Tylosin and Florfenicol.