Harish Vashisth
Research Interests
Computational Biophysics, Biomolecular Modeling and Simulations, Chemical Physics, Soft Matter and Self-assembly, Dynamics in biomolecular systems
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 900: Seminar
- 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
Rocha, B. C., & Vashisth, H. (2023). Porous Self-Assemblies Mediated by Dumbbell Particles as Cross-Linking Agents.. J Chem Theory Comput. doi:10.1021/acs.jctc.3c00406
Kumar, A., & Vashisth, H. (2023). Mechanism of Ligand Discrimination by the NMT1 Riboswitch.. J Chem Inf Model, 63(15), 4864-4874. doi:10.1021/acs.jcim.3c00835
Tripathi, S., Cote, R. H., & Vashisth, H. (2023). Coupling of conformational dynamics and inhibitor binding in the phosphodiesterase-5 family.. Protein Sci, 32(8), e4720. doi:10.1002/pro.4720
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
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