Author

P. Maragakis

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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Biophysics· 2

Signature Assays, Organisms & Methods

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Approach:biophysical modeling· 1 Research Focus:chromatin & epigenetic regulation· 1 Approach:deep learning· 1 Research Focus:protein structure prediction· 1 Approach:statistical model· 1 Assay:structural biology· 1

Frequent Co-Authors

C. Y. Yeh· 2 shared D. E. Shaw· 2 shared J. B. Greisman· 2 shared L. Willmore· 2 shared F. Giordanetto· 1 shared H. Nisonoff· 1 shared J. A. Izaguirre· 1 shared S. Shahamadtar· 1 shared

Activity by Year

2022-2023 · peak 1/yr

Co-Author Collaboration Network

8 top collaborators · 25 mutual co-author links

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2 shared papersBiophysics

C. Y. Yeh

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2 papers

Recent·Most cited

A conserved local structural motif controls the kinetics of PTP1B catalysis

C. Y. Yeh, J. A. Izaguirre, J. B. Greisman, L. Willmore, P. Maragakis, D. E. Shaw

This study identifies the PDFG motif as a conserved structural switch controlling WPD-loop conformational transitions in PTP1B, essential for catalytic activity.

bioRxiv · Feb 28, 2023 · PreprintBiophysics

Discovery and validation of the binding poses of allosteric fragment hits to PTP1b: From molecular dynamics simulations to X-ray crystallography

J. B. Greisman, L. Willmore, C. Y. Yeh, F. Giordanetto, S. Shahamadtar, H. Nisonoff, P. Maragakis, D. E. Shaw

The paper uses molecular dynamics simulations to predict fragment binding poses to PTP1b, which are later validated by X-ray crystallography.

bioRxiv · Nov 14, 2022 · PreprintBiophysics