Author

Purvi Neema

University of ConnecticutORCID 0000-0002-9637-0860Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 1 Organism:human· 1 Assay:protein structure· 1 Approach:simulation· 1 Approach:statistical model· 1

Frequent Co-Authors

Bodhisattwa ChaudhuriiD· 1 shared Saeed NajafianiD· 1 shared Umut OzuguzeliD· 1 shared

Activity by Year

2026-2026 · peak 1/yr

Co-Author Collaboration Network

3 top collaborators · 3 mutual co-author links

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1 shared paperPharmacology & Toxicology

Bodhisattwa ChaudhuriORCID

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1 paper

Recent·Most cited

Pharmacology & ToxicologybioRxivPreprintOct 14, 2026

A Structure-Based hERG Pose Selection Workflow Integrating Induced-Fit Docking, Shape Similarity, Interaction Fingerprints, and Molecular Dynamics

Purvi Neema, Umut Ozuguzel, Saeed Najafian, Bodhisattwa Chaudhuri

The paper evaluates a pose-selection framework using hERG structures to prioritize ligand poses, finding shape similarity and interaction fingerprints are effective for different ligand groups.

DOI 10.64898/2026.10.07.757389

humanprotein structure

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