Area of research
Molecular Biology · Computational Theory and Mathematics
Research interest
Research interests include Protein Structure and Dynamics, Computational Drug Discovery Methods, Enzyme Structure and Function, and SARS-CoV-2 and COVID-19 Research.
Modeling Protein–Protein and Protein–Ligand Interactions by the <scp>ClusPro</scp> Team in <scp>CASP16</scp>
E-FTMap: A Protein Structure Based Pharmacophore Identification Server for Guiding Fragment Expansion
Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too much
Automating biomedical literature review for rapid drug discovery: Leveraging GPT-4 to expedite pandemic response
Which cryptic sites are feasible drug targets?
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites
Identification and Ranking of Binding Sites from Structural Ensembles: Application to SARS-CoV-2
Vaccines Alone Cannot Slow the Evolution of SARS-CoV-2
On a model-based approach to improve intranasal spray targeting for respiratory viral infections
Risk of rapid evolutionary escape from biomedical interventions targeting SARS-CoV-2 spike protein