Molecular Machines

Context-Aware Biology

Charles Fracchia & Joe Jacobson

Current tools for biological research are cumbersome and outdated. We are creating modern hardware and software tools that allow to draw insights from the experimental context.

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GPCR activation prediction with sequence conservation analysis

Thrasyvoulos Karydis, Andreas Mershin & Joe Jacobson

We are working on prediction models for GPCR (G-protein coupled receptors) activation. Using olfactory receptors as a test case we are extracting information from primary sequence analysis, in order to pinpoint residues important for activation. Results are correlated with molecular dynamic simulations and in vitro experiments. GPCR activation is the major puzzle in drug discovery, where small molecules that activate only certain kinds of receptors are currently being found mostly by trial and error.

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