Overview: High-level description of your research focus
Proteins are the most efficient and accurate machineries of biology that carry out a tremendous range of essential functions. All of the necessary information for folding and function is encoded in the 1-D sequence of proteins. Proteins exquisitely translate this code to fold and function very efficiently, yet deciphering this encoded information remains a challenge. Thus, our primary research focus is to develop statistical physics-based methods (i) to understand the molecular principles behind sequence-structure-function relationship, (ii) to provide mechanistic insight on how molecular perturbations (i.e. change in amino acid composition, posttranslational modifications) impact cellular functions and evolution, and (iii) to design novel sequences with desired function through leveraging the molecular insights we have learned
Modelling allosteric regulations through development of molecular dynamics-based new analysis tools
Modelling observed novel missense human variations and its possible impact to cellular functions
Modelling epistatic relations on protein evolution
Design of novel enzymes through incorporation of conformational dynamics and allostery
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