Area of research
Molecular Biology · Computational Theory and Mathematics
Research interest
Research interests include Receptor Mechanisms and Signaling, Protein Structure and Dynamics, Computational Drug Discovery Methods, and Neuroscience and Neuropharmacology Research.
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures.
Structure-Activity Relationship Studies of Antimalarial <i>Plasmodium</i> Proteasome Inhibitors─Part II.
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures.
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures
Are Deep Learning Structural Models Sufficiently Accurate for Free Energy Calculations? Application of FEP+ to AlphaFold2 Predicted Structures
Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
What Can Crystal Structures of Aminergic Receptors Tell Us about Designing Subtype-Selective Ligands?
Discovery and Characterization of a G Protein–Biased Agonist That Inhibits β-Arrestin Recruitment to the D2 Dopamine Receptor
Ligand-Dependent Activation and Deactivation of the Human Adenosine A<sub>2A</sub>Receptor
Predicting GPCR Promiscuity Using Binding Site Features
Molecular Determinants of Selectivity and Efficacy at the Dopamine D3 Receptor
Steric Hindrance Mutagenesis in the Conserved Extracellular Vestibule Impedes Allosteric Binding of Antidepressants to the Serotonin Transporter