Anupam Anand Ojha

12PUBLICATIONS
14CO-AUTHORS
Computational chemistryStructure and dynamics of materialsReaction kinetics and dynamicsChemical thermodynamics and energeticsCharacterisation of biological macromolecules
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (12)

|Jun 12, 2026
seekrflow: Towards an End-to-End Automated Simulation Pipeline with Machine-Learned Force Fields for Accelerated Drug-Target Kinetic and Thermodynamic Predictions.

|Feb 28, 2025
The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation.

Anupam Anand Ojha, Robert Blackwell, Eduardo R Cruz-Chú

|Nov 07, 2024
Advances and Challenges in Milestoning Simulations for Drug-Target Kinetics.

Anupam Anand Ojha, Lane W Votapka, Rommie E Amaro

|Oct 11, 2024
Prediction of Threonine-Tyrosine Kinase Receptor-Ligand Unbinding Kinetics with Multiscale Milestoning and Metadynamics.

Lane W Votapka, Anupam Anand Ojha, Naoya Asada

|May 25, 2024
Distinguishing Molecular Properties of OAT, OATP, and MRP Drug Substrates by Machine Learning.

Anisha K Nigam, Jeremiah D Momper, Anupam Anand Ojha

|Nov 29, 2023
QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations.

Anupam Anand Ojha, Lane William Votapka, Rommie Elizabeth Amaro

Pageof 2

Frequent Collaborators

9 joint publications

Rommie Elizabeth Amaro

5 joint publications

Lane William Votapka

2 joint publications

Surl-Hee Ahn

2 joint publications

Sonya M Hanson