Hydrophobic Dewetting in protein ion channels and model nanopores
Hydrophobic dewetting forms a vapor barrier and closes BK Channel; how do mutations or drug-like molecules (de-)stabilize this delicate liquid-vapor interplay?
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Posts by Category
Projects
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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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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Techniques
Molecular dynamics simulations
Using Newton’s laws to simulate molecular motion, like these wiggling waters:
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Computer-aided drug discovery
Using simulations of proteins and small molecules to identify new drug candidates
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