Author

Ali Rasouli

University of Illinois Urbana-ChampaignORCID 0000-0002-0313-0236Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biophysics· 1

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

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Alan M. GrossfieldiD· 1 shared Frank C. PickardiD· 1 shared Mehtap IşıkiD· 1 shared Sreyoshi SuriD· 1 shared

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2024-2024 · peak 1/yr

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1 shared paperBiophysics

Alan M. GrossfieldORCID

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1 paper

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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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