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Journal of Biomolecular Structure and Dynamics Volume 42, 2024 - Issue 7

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Research Article

Discovery of novel PARP-1 inhibitors using tandem in silico studies: integrated docking, e-pharmacophore, deep learning based de novo and molecular dynamics simulation approach

Aayushi Bhatnagara Department of Pharmacy, School of Chemical Sciences and Pharmacy, Central University of Rajasthan, Ajmer, India

https://orcid.org/0009-0002-6362-2213 View further author information

Virendra Natha Department of Pharmacy, School of Chemical Sciences and Pharmacy, Central University of Rajasthan, Ajmer, IndiaView further author information

Neeraj Kumarb Bhupal Nobles’ College of Pharmacy, Bhupal Nobles’ University, Udaipur, India

https://orcid.org/0000-0001-5508-0616 View further author information

Vipin Kumara Department of Pharmacy, School of Chemical Sciences and Pharmacy, Central University of Rajasthan, Ajmer, IndiaCorrespondence[email protected]
View further author information

Pages 3396-3409 | Received 07 Feb 2023, Accepted 05 May 2023, Published online: 22 May 2023

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https://doi.org/10.1080/07391102.2023.2214223
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