Harish Vashisth
Research Interests
Computational Biophysics, Biomolecular Simulations, Molecular Transport, Cell Signaling via Membrane Proteins
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 Engineering
- INCO 790: Adv Rsrch Exp/Chemical Engr
Selected Publications
Paul, S., Nair, N. N., & Vashisth, H. (2019). Phase space and collective variable based simulation methods for studies of rare events. Molecular Simulation, 45(14-15), 1273-1284. doi:10.1080/08927022.2019.1634268
Mohammadi, M., Mohammadiarani, H., Shaw, V. S., Neubig, R. R., & Vashisth, H. (2019). Interplay of cysteine exposure and global protein dynamics in small-molecule recognition by a regulator of G-protein signaling protein. Proteins: Structure, Function, and Bioinformatics, 87(2), 146-156. doi:10.1002/prot.25642
Shen, Y. -X., Song, W., 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(1). doi:10.1038/s41467-018-04604-y
Liu, Y., Mohammadi, M., & Vashisth, H. (2018). Diffusion network of CO in FeFe-Hydrogenase. The Journal of Chemical Physics, 149(20), 204108. doi:10.1063/1.5054877
Mohammadiarani, H., Shaw, V. S., Neubig, R. R., & Vashisth, H. (2018). Interpreting Hydrogen–Deuterium Exchange Events in Proteins Using Atomistic Simulations: Case Studies on Regulators of G-Protein Signaling Proteins. The Journal of Physical Chemistry B, 122(40), 9314-9323. doi:10.1021/acs.jpcb.8b07494
Vashisth, H., & Brooks, C. L. (2012). Conformational Sampling of Maltose-Transporter Components in Cartesian Collective Variables Is Governed by the Low-Frequency Normal Modes. The Journal of Physical Chemistry Letters, 3(22), 3379-3384. doi:10.1021/jz301650q
Vashisth, H., Skiniotis, G., & Brooks, 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