Author

K. R. DeMarco

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· 3

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 3 Organism:human· 3 Approach:deep learning· 2 Assay:structural biology· 2 Approach:biophysical modeling· 1 Approach:mechanistic / dynamical model· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1

Frequent Co-Authors

C. E. Clancy· 3 shared I. Vorobyov· 3 shared V. Yarov-Yarovoy· 3 shared A. M. Emigh· 1 shared J. Maly· 1 shared J. R. D. Dawson· 1 shared J. T. Sack· 1 shared K. Furutani· 1 shared

Activity by Year

2018-2021 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 31 mutual co-author links

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3 shared papersBiophysics

C. E. Clancy

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Author profile →

3 papers

Recent·Most cited

Structural modeling of the hERG potassium channel and associated drug interactions

J. Maly, A. M. Emigh, K. R. DeMarco, K. Furutani, J. T. Sack, C. E. Clancy, I. Vorobyov, V. Yarov-Yarovoy

This study uses Rosetta to model structural changes in hERG channels caused by mutations and drug interactions, revealing conformational shifts and binding mechanisms.

bioRxiv · Jul 8, 2021Biophysics

Atomistic modeling towards predictive cardiotoxicity

K. R. DeMarco, J. R. D. Dawson, P.-C. Yang, S. Bekker, V. A. Ngo, S. Y. Noskov, V. Yarov-Yarovoy, C. E. Clancy, I. Vorobyov

This paper develops a computational framework to distinguish safe and unsafe hERG blockers by modeling atomic interactions and simulating drug-channel dynamics.

bioRxiv · May 11, 2019 · PreprintBiophysics

Structural Basis for Antiarrhythmic Drug Interactions with the Human Cardiac Sodium Channel

P. T. Nguyen, K. R. DeMarco, I. Vorobyov, C. E. Clancy, V. Yarov-Yarovoy

This study investigates the molecular interactions of antiarrhythmic and local anesthetic drugs with hNav1.5 using structural modeling and simulations, revealing key binding sites and pathways.

bioRxiv · Sep 29, 2018Biophysics