pKa predictions
We develop MD-based tools for pKa predictions of various systems, e.g., proteins, carbohydrates, and surfactants.
smart materials
We study how pH and solution pH modulate the properties of chitosan-based hydrogel films.
ion and substrate transport
We discover novel mechanisms of ion and substrate transport across the biological membrane.
protease/kinase inhibition
We discover the role of pH in the dynamics and inhibition of proteases and kinases.
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