Teaching, Workshops, Responsibilities, and Outreach
Computational Biology Summer School at NCBS Bangalore (5-10 July): Conducted two sessions covering the fundamentals of protein folding and multiscale simulation approaches. The sessions included a hands-on simulation of a one-dimensional particle in a double-well potential using the velocity Verlet algorithm, followed by an introduction to enhanced sampling techniques.
13th Undergraduate Lecture Series 2026 at NCBS Bangalore (Beyond Structure: The Dynamic Life of Proteins)
Pint of Science Bangalore 2026 (Dancing Proteins: How Tiny Moves Run Our Cells)
Teaching Assistantship for Chemical Reaction Engineering and molecular dynamics simulations subjects at IISc Bangalore
Organized a National Level 5th biomembranes symposium held at IISc Bangalore 2022
Mass Transfer Laboratory Teaching Assistantship at IIT Roorkee
Beyond Structure: The Dynamic Life of Proteins
13th Undergraduate Lecture Series 2026 | NCBS Bangalore
Summary: Starting from the protein folding problem, this lecture will introduce the essential role of protein dynamics. It will trace historical efforts to understand protein structure, including recent AI breakthroughs, and then discuss how computational simulations are used to study protein dynamics, along with their limitations and challenges.
Dancing Proteins: How Tiny Moves Run Our Cells
Pint of Science (PoS) Bangalore Festival 2026
Summary: AI tools like AlphaFold can predict what proteins look like, but proteins aren’t statues -- they wiggle, slide, and move to get things done. I study how proteins move and interact on cell surfaces, and how bacteria and viruses exploit these movements to infect us. In this talk, I’ll share fun examples of how cells communicate -- and how microbes sneak in by hijacking these molecular moves.
Invited Talks
Delivered a talk titled “Multiscale Simulation of Coupled Protein Transitions: From Pathogenic Infection to Neurodegenerative Disease” at IIT Hyderabad on 6 August 2026.
Tutorials and Resources
I am working on designing the following tutorials and teaching materials:
A step-by-step guide to membrane protein simulations using both all-atom and coarse-grained force fields
Python for beginners, including the underlying mathematical foundations
Classical optimization methods and machine learning techniques
Classical and statistical thermodynamics
Resources
Undergraduate
Chemical Engineering Thermodynamics by J. M. Smith and others
Chemical Reaction Engineering by Octave Levenspiel
Numerical Methods in Engineering and Science by B. S. Grewal
An Introduction to Statistical Learning with Applications in Python or R by Gareth M. James and others
Postgraduate
An Introduction to Statistical Thermodynamics by Terrell L. Hill
Statistical Mechanics by Donald A. McQuarrie
Understanding Molecular Simulation from Algorithms to Applications by Berend Smit and Daan Frenkel
Intermolecular and surface forces by Jacob N. Israelachvili
Handbook of Stochastic Methods by C.W. Gardiner
Stochastic Processes in Physics and Chemistry by NG Van Kampen (highly advanced)
Elements of Nonequilibrium Statistical Mechanics by V. Balakrishnan
Introduction to Statistical Machine Learning by Masashi Sugiyama
Writing
English Grammar & Composition by WREN & MARTIN
The Elements of Style by E. B. White and William Strunk Jr.
Style: The Basics of Clarity and Grace by Joseph Bizup and Joseph M. Williams
The Scientist’s Guide to Writing: How to Write More Easily and Effectively Throughout Your Scientific Career by Stephen B. Heard
Stylish Resources for Stylish Writers Website by Helen Sword
Links
Gromacs tutorials by Justin A. Lemkul --> Must for the beginners
WHAM code by Alan Grossfield --> They have implemented 2D WHAM and bootstraping analysis
OpenMM tutorials
OpenSMOG tutorial
Submit Python code to generate various CG models
Multi-eGO model development
Charmm-GUI lectures
Martini FF tutorials
AlphaFold coursework