About the Lab
The Computational Biophysics lab focuses on various topics in biological physics, an area that is highly interdisciplinary in nature. We use state-of-the-art computational tools to investigate the molecular structure, dynamics, and fucntion of biomolecules. We extensively use the physics-based Molecular Dynamics simulation technique, which has become an indispensable tool to computationally investigate molecular interactions and dynamics that complement a variety of physics and biophysics experiments. Such computer simulations are useful in many research topics, ranging from biomolecular interactions and drug discovery through in-silico screening to functionalization and interactions of solid-state nanomaterial such as graphene. Current major projects in our lab include dynamics and membrane interactions of viral proteins such as Ebola and Marburg virus proteins VP40 and the SARS-CoV-2 spike protein, and identification of novel antimicrobial compounds against antibiotic resistant pathogens. We collaborate with experimental labs in both academia and industry for coupling the theoretical and computational investigations with various biophysical experiments.
The research in the lab has been supported by funding from various funding agencies such as NSF, NIH, and industry partners.
News and Updates
- Paper published on Nature Machine Intelligence: Evaluating protein binding interfaces with transformer networks September, 2023
- Paper published on Nucleic Acids Research: RNA-guided DNA base damage repair via DNA polymerase-mediated nick translation. January, 2023
- Congratulations to Dr. Jeevan GC for his new role as a research scientist at the Dana-Farber Cancer Institute, Harvard Medical School! August, 2022.
- Paper published on Science Advances - Assembly dynamics of the Measles and Nipah virus matrix proteins - featured on the cover. July 22, 2022.
- Congratulations to Lokman on his successful PhD Defense! He is joining Texas A&M as a postdoctoral fellow. June 27, 2022.
- Prabin graduated and has now joind the Alex MacKerell lab at the U. Maryland as a Postdoc. Congratulations Prabin! June 1, 2022.
- Omicron RBD's extensive mutations have various consequences - our new paper on PCCP. March 30, 2022.
- Paper on AT-hook binding to DNA published in Nucleic Acids Research. February 24, 2022.
- Congratulations to Rudra for his new job as a Bioinformaticist at the Arizona State University! January 1, 2022
- Congratulations to Nisha for receiving a "Real Triumphs" award + Best Dissertation award from FIU. October 4, 2021
- Our collaborative project with Oragenics, Inc. has received NIH funding to explore novel lantibiotic peptides. October 4, 2021
- Our paper describing possible immune evasion by the Delta variant is now published on BBRC. September 1, 2021
- Work on molecular mimicry linking covid-19 and blood clots published on bioRxiv August 29, 2021
- Congratulations to Prabin on receiving the Dissertation Year Fellowship award ! August 15, 2021
- Coronavirus research highlighted on FIU News: COVID-19 variants develop better lock-picking skills July 19, 2021
- Our paper comparing the SARS-CoV-2 variants B.1.1.7 and B.1.351 has been published in JCP. June 10, 2021
- Nisha has recently graduated. She is joining the Cleveland Clinic as a postdoctoral researher. Congratulations, Nisha! June 1, 2021