Author

P. Kirubakaran

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biochemistry· 1 Cancer Biology· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 2 Research Focus:benchmarking· 1 Approach:comparative / phylogenetic analysis· 1 Approach:deep learning· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1 Approach:statistical model· 1 Assay:structural biology· 1

Frequent Co-Authors

J. Karanicolas· 2 shared G. Morton· 1 shared H. Zhang· 1 shared J. Gordon· 1 shared J. Wu· 1 shared J.-P. J. Issa· 1 shared M. Abou-Gharbia· 1 shared N. Bai· 1 shared

Activity by Year

2020-2020 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 37 mutual co-author links

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2 shared papersCancer Biology

J. Karanicolas

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2 papers

Recent·Most cited

Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships

P. Kirubakaran, G. Morton, P. Zhang, H. Zhang, J. Gordon, M. Abou-Gharbia, J.-P. J. Issa, J. Wu, W. Childers, J. Karanicolas

The paper develops a comparative modeling approach to study CDK9 inhibitor selectivity and structure-activity relationships, using existing PDB data and validating with a crystal structure.

bioRxiv · Jun 8, 2020 · PreprintCancer Biology

Rationalizing PROTAC-mediated ternary complex formation using Rosetta

N. Bai, P. Kirubakaran, J. Karanicolas

This paper introduces a computational method using Rosetta to model PROTAC ternary complex formation, showing it can explain PROTAC activity and selectivity without requiring extensive experimental testing.

bioRxiv · May 27, 2020Biochemistry