More About The John Chodera Lab Minus iconIcon indicating subtraction, or that the element can be closed. Plus IconIcon indicating addition, or that the element can be opened. Arrow (down) icon.An arrow icon, usually indicating that the containing element can be opened and closed.

Mehtap Isik

Tri-I Chemical Biology Graduate Student

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I am interested in utilizing our understanding of intermolecular interactions to support drug discovery efforts with computational chemistry. My research focuses on the following areas: model systems for quantitative prediction of protein:ligand interactions with alchemical free energy methods; improving absolute free energy methods for predicting protein binding sites; evaluating computational pKa and lipophilicity predictions for small molecules; developing high-throughput fluorescence-based binding assays and analysis methods that can capture experimental uncertainties; predictive models of drug self-assembly for targeted nanomedicines.