Posts by Category


Physics-based modeling of Hsp70-substrate binding

Molecular chaperones like DnaK help fold misfolded proteins,
but how do they distinguish well-folded, misfolded, and disordered regions?

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Protein-like nanopore dewetting

Why do some protein ion channels like the BK channel, which are quite large ~1.2 nm diameter, have vapor rather than physical barriers?

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BK Channel Hydrophobic Gating

Hydrophobic dewetting forms a vapor barrier and closes BK Channel; what role do specific mutations play in (de-)stabilizing this delicate liquid-vapor interplay?

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BK Gating Voltage Predictor

Given abundant mutational data, I’m leveraging molecular and statistical modeling to predict gating voltage of the BK channel.

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Molecular dynamics simulations

Using Newton’s laws to simulate molecular motion, like these wiggling waters:

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