James C. Gumbart, Ph.D.

Affiliations: 
2013- Physics Georgia Institute of Technology, Atlanta, GA 
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"James Gumbart"
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Parents

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Klaus Schulten grad student 2005-2009 UIUC
Benoit Roux post-doc 2011-2013 Chicago

Children

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Atanu Acharya post-doc 2019-2022 Georgia Tech
Byeongjae Chun research scientist
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Publications

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Pang YT, Acharya A, Lynch DL, et al. (2022) SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact. Communications Biology. 5: 1170
Allsopp R, Pavlova A, Cline T, et al. (2022) Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. The Journal of Physical Chemistry. B
Hermansen S, Ryoo D, Orwick-Rydmark M, et al. (2022) The Role of Extracellular Loops in the Folding of Outer Membrane Protein X (OmpX) of . Frontiers in Molecular Biosciences. 9: 918480
Stevens CM, Babii SO, Pandya AN, et al. (2022) Proton transfer activity of the reconstituted MmpL3 is modulated by substrate mimics and inhibitors. Proceedings of the National Academy of Sciences of the United States of America. 119: e2113963119
Yu B, Roy Choudhury M, Yang X, et al. (2022) Restoring and Enhancing the Potency of Existing Antibiotics against Drug-Resistant Gram-Negative Bacteria through the Development of Potent Small-Molecule Adjuvants. Acs Infectious Diseases
Fu H, Chen H, Blazhynska M, et al. (2022) Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations. Nature Protocols
Acharya A, Yi D, Pavlova A, et al. (2022) Resolving the Hydride Transfer Pathway in Oxidative Conversion of Proline to Pyrrole. Biochemistry
Akey CW, Singh D, Ouch C, et al. (2021) Comprehensive structure and functional adaptations of the yeast nuclear pore complex. Cell
Wu R, Bakelar JW, Lundquist K, et al. (2021) Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM. Nature Communications. 12: 7131
Gumbart JC, Ferreira JL, Hwang H, et al. (2021) Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pump. Biophysical Journal
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