Harish Vashisth

Phone: (603) 862-2483
Office: Chemical Engineering, Kingsbury Hall Rm S344B, Durham, NH 03824

Research Interests
Computational Biophysics, Biomolecular Modeling and Simulations, Chemical Physics, Soft Matter and Self-assembly, Dynamics in biomolecular systems


  • Ph.D., Chemical Engineering, Drexel University
  • B.Tech., Chemical Engineering, National Instit of Tech

Research Interests

  • 3D Modeling / Visualization
  • Bioengineering
  • Biological Modeling
  • Biological Polymers
  • Biomedical Engineering
  • Biomimetics
  • Biomolecular Science
  • Biopharmaceuticals
  • Biophysical Interactions
  • Biophysics
  • Chemical Engineering
  • Chemical Physics
  • Computer Modeling
  • Computer Simulation/Modeling

Courses Taught

  • BENG 755: Computational Bioengineering
  • CHE 603: Appld Math for Chemical Engnrs
  • CHE 604: Chem Engnrng Thermodynamics
  • CHE 695: Chemical Engineering Project
  • CHE 923: Adv Chem Eng Thermodynamics
  • CHE 999: Doctoral Research
  • INCO 590: Rsrch Exp/Chemical Engr
  • INCO 790: Adv Rsrch Exp/Chemical Engr

Selected Publications

Pal, S., Kumar, A., & Vashisth, H. (2023). Role of Dynamics and Mutations in Interactions of a Zinc Finger Antiviral Protein with CG-rich Viral RNA.. J Chem Inf Model, 63(3), 1002-1011. doi:10.1021/acs.jcim.2c01487

Kalapurakal, R. A. M., Rocha, B. C., & Vashisth, H. (2023). Self-Assembly in an Experimentally Realistic Model of Lobed Patchy Colloids.. ACS Appl Bio Mater. doi:10.1021/acsabm.2c00910

Andrzejczyk, J., Jovic, K., Brown, L. M., Pascetta, V. G., Varga, K., & Vashisth, H. (2022). Molecular interactions and inhibition of the SARS-CoV-2 main protease by a thiadiazolidinone derivative. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 90(11), 1896-1907. doi:10.1002/prot.26385

Stolz, R. M., Kolln, A. F., Rocha, B. C., Brinks, A., Eagleton, A. M., Mendecki, L., . . . Mirica, K. A. (2022). Epitaxial Self-Assembly of Interfaces of 2D Metal-Organic Frameworks for Electroanalytical Detection of Neurotransmitters.. ACS Nano, 16(9), 13869-13883. doi:10.1021/acsnano.2c02529

Gorai, B., & Vashisth, H. (2022). Structural models of viral insulin-like peptides and their analogs. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. doi:10.1002/prot.26410

Shen, Y. -X., Song, W. C., Barden, D. R., Ren, T., Lang, C., Feroz, H., . . . Kumar, M. (2018). Achieving high permeability and enhanced selectivity for Angstrom-scale separations using artificial water channel membranes. NATURE COMMUNICATIONS, 9. doi:10.1038/s41467-018-04604-y

Vashisth, H., Skiniotis, G., & III, B. C. L. (2012). Using Enhanced Sampling and Structural Restraints to Refine Atomic Structures into Low-Resolution Electron Microscopy Maps. STRUCTURE, 20(9), 1453-1462. doi:10.1016/j.str.2012.08.007

Vashisth, H., Maragliano, L., & Abrams, C. F. (2012). "DFG-Flip" in the Insulin Receptor Kinase Is Facilitated by a Helical Intermediate State of the Activation Loop. BIOPHYSICAL JOURNAL, 102(8), 1979-1987. doi:10.1016/j.bpj.2012.03.031

Strunk, B. S., Loucks, C. R., Su, M., Vashisth, H., Cheng, S., Schilling, J., . . . Skiniotis, G. (2011). Ribosome Assembly Factors Prevent Premature Translation Initiation by 40S Assembly Intermediates. SCIENCE, 333(6048), 1449-1453. doi:10.1126/science.1208245

Vashisth, H., & Abrams, C. F. (2008). Ligand Escape Pathways and (Un)Binding Free Energy Calculations for the Hexameric Insulin-Phenol Complex. BIOPHYSICAL JOURNAL, 95(9), 4193-4204. doi:10.1529/biophysj.108.139675

Most Cited Publications