The overarching research theme of the group is to develop a fundamental understanding of important biological polymers and assemblies, and to develop engineering solutions for an improved healthcare. We are interested in employing multiscale modeling and simulation tools, systematic coarse-graining strategies and enhanced sampling techniques to enable designing of nanopores for accurate diagnosis of diseases, identifying of novel drug targets and improving drugs and drug-carriers for treating diseases.

Recent Publications

  • Mani, S., Katkar, H.H., Voth, G.A., "Compressive and Tensile Deformations Alter ATP Hydrolysis and Phosphate Release Rates in Actin Filaments. ", Journal of Chemical Theory and Computation, 17 (3):1900 ‐ 1913, 2021. doi:10.1021/acs.jctc.0c01186.
  • Zsolnay, V., Katkar, H. H., Chou, S. Z., Pollard, T. D., Voth, G. A. "Structural basis for polarized elongation of actin filaments.", Proceedings of the National Academy of Sciences, 117 (48):30458 ‐ 30464, 2020. doi:10.1073/pnas.2011128117.
  • Aydin, F., Katkar, H.H., Voth, G.A., "Multiscale simulation of actin filaments and actin-associated proteins.", Biophysical Reviews, 2018. doi:10.1007/s12551-018-0474-8.
  • Katkar, H.H., Davtyan, A., Durumeric, A.E.P, Hocky, G.M., Schramm, A.C., De La Cruz, E.M. & Voth, G.A, "Insights into the cooperative nature of ATP hydrolysis in actin filaments.", Biophysical Journal, 115:1589 ‐ 1602, 2018. doi:10.1016/j.bpj.2018.08.034.
  • Katkar, H.H. & M Muthukumar, "Role of non-equilibrium conformations on driven polymer translocation", The Journal of Chemical Physics, 148:024903, 2018. doi:10.1063/1.4994204.
  • Katkar, H.H. & M Muthukumar, "Effect of charge patterns along a solid-state nanopore on polyelectrolyte translocation", The Journal of Chemical Physics, 140(13):135102, 2014. doi:10.1063/1.4869862.
  • Katkar, H.H. & Davis, J.M., "Bifurcation in a thin liquid film flowing over a locally heated surface.", Journal of Fluid Mechanics, 726:656 ‐ 667, 2013. doi:10.1017/jfm.2013.245.