What we do
Our team brings powerful new physics-based methods for modeling in computational drug discovery. We have considerable academic and industrial experience. We collaborate to help solve your modeling problems.
Ken A. Dill is an expert in protein physics and computational modeling. Previously at UC San Francisco, he is the Founding Director of the Laufer Center, and Distinguished Professor of Chemistry and Physics at Stony Brook University. A co-author of Prose-award-winning textbook (Protein Actions: Principles & Modeling, with I Bahar and R Jernigan, Garland Science, 2017), he is a member of the US National Academy of Sciences and the American Academy of Arts and Sciences.
Alberto Perez is a biomolecular modeler, and co-developer of MELD,
a tool that integrates experimental data or other information into physics-based modeling of protein folding, ligand binding and peptide-protein interactions. He is Assistant Professor of Chemistry at the University of Florida.
John H. Van Drie is a 20-year veteran of drug discovery, an entrepreneur, scientist and executive. He has exceptional expertise in introducing novel approaches and advanced technology into drug discovery/development. He is an internationally recognized leader in Computer-Aided Drug Discovery (CADD), and a pioneer in virtual screening.
Our MELD technology
Our tool called MELD (Modeling Employing Limited Data) accelerates molecular dynamics simulations — often by orders of magnitude — when you have knowledge, data or even crude hunches about what you’re looking for. Want to fold a small protein? Want to compute a ligand binding affinity? Want to use limited or noisy data to determine a protein structure? MELD x MD can often help.