Author

Shiksha Dutta

Centre Hospitalier de l’Université de MontréalORCID 0009-0002-8419-6436Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biophysics· 2

Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Assay:protein structure· 1 Approach:simulation· 1 Research Focus:software / tool· 1 Approach:statistical model· 1

Frequent Co-Authors

Anupam Anand OjhaiD· 2 shared Sonya M. HansoniD· 2 shared Anson F. Noland· 1 shared Gary HuberiD· 1 shared Lane William VotapkaiD· 1 shared Rommie E. AmaroiD· 1 shared

Activity by Year

2026-2026 · peak 2/yr

Co-Author Collaboration Network

6 top collaborators · 12 mutual co-author links

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2 shared papersBiophysics

Anupam Anand OjhaORCID

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2 papers

Recent·Most cited

BiophysicsbioRxivPreprintSep 29, 2026

PySTARC: GPU-accelerated Brownian dynamics for bimolecular association rate constants

Anupam Anand Ojha, Gary Huber, Shiksha Dutta, Sonya M. Hanson

PYSTARC estimates bimolecular association rate constants using GPU-accelerated Brownian dynamics, achieving accuracy within one order of magnitude of experimental values.

DOI 10.64898/2026.09.28.754770

protein structurestatistical model

𝕏 PostBluesky

BiophysicsJournal of Chemical Theory and ComputationPeer-reviewedJun 12, 2026

seekrflow: Towards end-to-end automated simulation pipeline with machine-learned force fields for accelerated drug-target kinetic and thermodynamic predictions

Anupam Anand Ojha, Lane William Votapka, Shiksha Dutta…·Rommie E. Amaro

seekrflow automates drug-target kinetic and thermodynamic predictions using a multiscale milestoning simulation pipeline, achieving accurate results with reduced manual intervention and computational cost.

DOI 10.1021/acs.jctc.6c00659

deep learningsimulation

𝕏 PostBluesky