Author

Sreyoshi Sur

Moderna Therapeutics (United States)ORCID 0000-0001-7780-2640Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biophysics· 3

Signature Assays, Organisms & Methods

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Approach:statistical model· 3 Approach:deep learning· 1 Approach:mechanistic / dynamical model· 1 Research Focus:protein structure prediction· 1 Assay:structural biology· 1

Frequent Co-Authors

Alan M. GrossfieldiD· 3 shared Akshara SharmaiD· 1 shared Ali RasouliiD· 1 shared Frank C. PickardiD· 1 shared Mehtap IşıkiD· 1 shared

Activity by Year

2024-2026 · peak 2/yr

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5 top collaborators · 7 mutual co-author links

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3 shared papersBiophysics

Alan M. GrossfieldORCID

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3 papers

Recent·Most cited

BiophysicsbioRxivPreprintOct 9, 2026

Physical Basis Of pKa Shift For Ionizable Lipids In An LNP-like Environment

Akshara Sharma, Sreyoshi Sur, Alan M. Grossfield

This study calculates the pKa shift of ionizable lipids in LNP-like environments using molecular dynamics simulations to understand how lipid composition affects charge state transitions.

DOI 10.64898/2026.10.07.757025

statistical model

𝕏 PostBluesky

BiophysicsbioRxivPreprintApr 8, 2026

Theoretical estimate of the effective pKa of titratable lipids using continuum electrostatics

Sreyoshi Sur, Alan M. Grossfield

The paper develops a continuum electrostatics model to predict the effective pKa of ionizable lipids in lipid bilayers, showing how it shifts with salt concentration and membrane composition.

1 citation

statistical modelmechanistic / dynamical model

𝕏 PostBluesky

BiophysicsJournal of Chemical Information and ModelingPeer-reviewedDec 19, 2024

Essential Considerations for Free Energy Calculations of RNA-Small Molecule Complexes: Lessons from Theophylline-Binding RNA Aptamer

Ali Rasouli, Frank C. Pickard, Sreyoshi Sur…·Mehtap Işık

This study evaluates free energy calculations for RNA-small molecule complexes, finding that Mg2+ placement and buffer conditions significantly affect binding affinity predictions.

14 citations

structural biologydeep learning

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