Area of research
Molecular Biology · Materials Chemistry
Research interest
Research interests include Computer science, Python (programming language), Modular design, Interoperability, Scripting language, and Kidney.
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations