Nitin Singh

Postdoctoral Researcher @VermaasLab, MSU | Seeking impactful industry opportunities in Biomolecular Simulations and Membrane Interactions, leveraging expertise to drive innovation and solve complex challenges.

I have a strong background in computational chemistry and molecular simulations, with expertise in molecular modeling, protein-ligand interactions, and machine learning applications. During my PhD at IIT Gandhinagar, I worked on helical peptides, protein surface adsorption, and intrinsically disordered proteins, developing an algorithm for predicting disordered regions. I further expanded my expertise at ENS de Lyon, where I developed Martini models for protein folding and studied protein-membrane interactions. Currently, as a postdoctoral researcher at Michigan State University, I investigate small molecule and protein interactions with biological membranes. My technical skills include molecular simulation software such as AMBER, GROMACS, NAMD, and LAMMPS, along with enhanced sampling techniques, high-performance computing, and Python-based machine learning. I have published six peer-reviewed papers and presented my research at international conferences, including the American Physical Society Meeting.

I earned my PhD in computational chemistry from the Indian Institute of Technology Gandhinagar under the supervision of Dr. Mithun Radhakrishna. My research focused on molecular simulations, including the design and investigation of helical peptides, protein surface adsorption studies, and the analysis of Intrinsically Disordered Proteins (IDPs). I developed the HDP algorithm for predicting disordered protein regions and created computational tools for protein structure analysis. Additionally, I gained international research experience at ENS de Lyon, where I worked on Martini models for protein folding and protein-membrane interactions.