MD JAISH UDDIN

Hello! Thanks for visiting my personal website.

I am a graduate student, pursuing a Master of Science in Physical Chemistry at the Department of Chemistry, University of Chittagong. Previously, I completed a Bachelor of Science in Chemistry from the same university. My academic and research interests are centered on analytical chemistry. The potential use of mass spectrometry-based techniques to characterize various biological/chemical systems, and the application of different analytical methods in chemistry keenly intrigues me.

I have gained valuable experience as a Research Assistant at the Red Green Research Center. Where, I have been contributing to different projects involving advanced molecular dynamics simulation, mass spectrum analysis, and other critical data analysis. In addition, my proficiency in Python, R, and Bash scripting has also increased while contributing to these projects. 

To date, I have published five scientific peer-reviewed articles across distinct journals including the Journal of Molecular Liquids, Journal of Computational Chemistry, New Journal of Chemistry, ACS Omega, and Journal of Biomolecular Structure and Dynamics.

During my time at RGRC, I often introduced new techniques to meet project challenges, including MMPBSA binding free energy calculation, FEL region-based conformer identification, forcefield (Amber, Charmm, Opls, Gromos) conversions in DESMOND and GROMACS, non-equilibrium MD simulation for viscosity calculation across different temperatures, mobile proton simulation by trajectory stitching approach ( for replicating mass spectrometry gas phase scenarios), static proton simulation, solving the restarting issue in DESMOND for long duration simulations, self-diffusion coefficient, surface tension, combined distribution function, spatial distribution function analysis, etc. Additionally, I shared these techniques with other researchers in the lab.

On top of that, I developed three Python codes (Github):
1. Residue-wise non-covalent interaction analysis from MD Trajectory.
2. Protein/Peptide Secondary structure percentage analysis from MD Trajectory.
3. Randomizing peptide sequences.

Moreover, I upgraded the PCA data visualization code for MD Trajctory  in R utilizing ggbiplot and ggplot2. I have also perfomed PCA of FTIR and RAMAN data in origin pro.

Alongside my research endeavors, I  strive to promote the principles of open, collaborative, and reproducible science. In my free time, I love to play cricket, cycling, and traveling.