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Our research investigates the structural dynamics of complex biomolecules and how they are linked to physiological functions or diseases, and how to design small molecules for therapeutic usage. Recent projects include:
Molecular dynamics-based free energy calculations of reversible covalent binding process;
Molecular dynamics-based free energy calculations of reversible covalent binding process;
Mechanical and chemical gating of mechanosensitive Piezo channels;
Mechanical and chemical gating of mechanosensitive Piezo channels;
Gating and molecular permeation of connexin hemichannels;
Gating and molecular permeation of connexin hemichannels;
Developing a new computational method for calculating protein dynamic allosteric network
Developing a new computational method for calculating protein dynamic allosteric network
Previous projects:
Previous projects:
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