Author

E. Santiago-McRae

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:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:experimental assay· 1 Research Focus:protein folding & dynamics· 1 Research Focus:protein structure prediction· 1 Assay:proteomics· 1 Approach:statistical model· 1 Assay:structural biology· 1

Frequent Co-Authors

G. Brannigan· 2 shared J. Henin· 2 shared B. Deng· 1 shared J. A. Fitzpatrick· 1 shared J. T. Petroff· 1 shared J. W. Sandberg· 1 shared K. T. Moreland· 1 shared L. J. Chen· 1 shared

Activity by Year

2022-2022 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 33 mutual co-author links

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2 shared papersBiophysics

G. Brannigan

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Author profile →

2 papers

Recent·Most cited

Computing absolute binding affinities by Streamlined Alchemical Free Energy Perturbation (SAFEP)

E. Santiago-McRae, M. Ebrahimi, J. W. Sandberg, G. Brannigan, J. Henin

The paper introduces SAFEP, a framework for computing free energy of binding using alchemical free energy perturbation in NAMD, with a practical example on phenol to lysozyme.

bioRxiv · Dec 9, 2022 · PreprintBiophysics

Structural mechanism of leaflet-specific phospholipid modulation of a pentameric ligand-gated ion channel

J. T. Petroff, N. M. Dietzen, E. Santiago-McRae, B. Deng, M. S. Washington, L. J. Chen, K. T. Moreland, Z. Deng, M. Rau, J. A. Fitzpatrick, P. Yuan, T. T. Joseph, J. Henin, G. Brannigan, W. W. Cheng

The paper shows phosphatidylglycerol stabilizes the open state of ELIC by binding to a specific outer leaflet site, identified through structural and functional analyses.

bioRxiv · Jun 7, 2022 · PreprintBiophysics