Author

Roopa Thapar

The University of Texas MD Anderson Cancer CenterORCID 0000-0002-9786-6980Unclaimed 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· 2 Approach:experimental assay· 2 Research Focus:protein folding & dynamics· 2 Assay:proteomics· 2 Approach:statistical model· 2 Research Focus:cell signaling & trafficking· 1 Assay:structural biology· 1

Frequent Co-Authors

Brandon NovyiD· 2 shared Christoph H. BorchersiD· 2 shared Edith Nagy· 2 shared Evgeniy V. PetrotchenkoiD· 2 shared Jason B. CrossiD· 2 shared Foroughsadat Absar· 1 shared Konstantin I. PopoviD· 1 shared Konstantin PopoviD· 1 shared

Activity by Year

2025-2025 · peak 2/yr

Co-Author Collaboration Network

8 top collaborators · 26 mutual co-author links

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2 shared papersBiophysics

Brandon NovyORCID

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2 papers

Recent·Most cited

A Hit Prioritization Strategy for Compound Library Screening Using LiP-MS and Molecular Dynamics Simulations Applied to KRas G12D Inhibitors

Foroughsadat Absar, Brandon Novy, Edith Nagy, Evgeniy V. Petrotchenko, Konstantin Popov, Jason B. Cross, Roopa Thapar, Christoph H. Borchers

This study combines LiP-MS and molecular dynamics simulations to prioritize KRas G12D inhibitors by analyzing cleavage site protection and binding affinity.

Analytical Chemistry · Sep 12, 2025Peer-reviewedBiophysics

Characterization of the KRas G12D-inhibitor interactions by HDX-MS and molecular dynamics simulations

Evgeniy V. Petrotchenko, Brandon Novy, Edith Nagy, Konstantin I. Popov, Jason B. Cross, Roopa Thapar, Christoph H. Borchers

The paper uses HDX-MS and MD simulations to analyze KRas G12D-inhibitor interactions, showing a correlation between binding affinity and structural changes.

Computational and Structural Biotechnology Journal · Jan 1, 2025Peer-reviewedBiophysics