Selected Publications

All others are listed here

Efficient sampling of protein dynamics
Journal of Chemical theory and Computation

Statistically robust modeling of protein dynamics.
BioArxiv

Allosteric pathways in imidazole glycerol phosphate synthase
Proceedings of the National Academy of Sciences of the United States of America

Recent Posts

Random musings on weekend projects

Using PyTorch to enhance molecular simulations and using Plumed to classify images

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Using Autoencoders to enhance molecular simulations via Metadynamics.

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Projects

A few of my current & past projects. For a full list, visit my Google Scholar profile

Kinase simulations

Kinetics and thermodynamics of Protein Kinases.

Software Development

Development of software for analyzing and making MSMs.

Advanced Sampling

Faster sampling via Markov decision processes(MDP) and Reinforcement-Learning.

ML & MSMs

Improved markov modeling across multiple sequences.

Teaching

I have been a teaching instructor for the following courses at Stanford University:

  • CHEM36: Organic Chemistry Lab I
  • CHEM31B: Chemical Principles II