Author

J. C. Gumbart

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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Biochemistry· 2 Biophysics· 2 Microbiology· 1

Signature Assays, Organisms & Methods

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Approach:experimental assay· 3 Research Focus:protein folding & dynamics· 3 Assay:structural biology· 3 Organism:E. coli· 2 Organism:human· 2 Approach:mechanistic / dynamical model· 2 Assay:proteomics· 2 Research Focus:cell signaling & trafficking· 1

Frequent Co-Authors

J. M. Parks· 3 shared A. Acharya· 2 shared A. Pavlova· 2 shared C. Chipot· 2 shared D. L. Lynch· 2 shared Y. T. Pang· 2 shared A. A. Golosov· 1 shared A. Hazel· 1 shared

Activity by Year

2017-2022 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 29 mutual co-author links

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3 shared papersBiophysics

J. M. Parks

Mutual co-authors in cluster

Author profile →

5 papers

Recent·Most cited

Conformational restriction shapes inhibition of a multidrug efflux adaptor protein

B. Russell Lewis, M. R. Uddin, M. Moniruzzaman, K. M. Kuo, A. J. Higgins, L. M. N. Shah, F. Sobott, J. M. Parks, D. Hammerschmid, J. C. Gumbart, H. I. Zgurskaya, E. Reading

The paper investigates how an inhibitor restricts the conformational dynamics of AcrA, a multidrug efflux adaptor protein, to block drug signal transmission in E. coli.

bioRxiv · Dec 9, 2022Biochemistry

Critical interactions for SARS-CoV-2 spike protein binding to ACE2 identified by machine learning

A. Pavlova, Z. Zhang, A. Acharya, D. L. Lynch, Y. T. Pang, Z. Mou, J. M. Parks, C. Chipot, J. C. Gumbart

This study identifies critical residues for SARS-CoV-2 spike protein binding to ACE2 using machine learning and free energy calculations, showing how specific mutations affect binding affinity.

bioRxiv · Mar 19, 2021Biophysics

Periplasm homeostatic regulation maintains spatial constraints essential for cell envelope processes and cell viability

E. Mandela, C. J. Stubenrauch, D. Ryoo, H. Hwang, E. J. Cohen, V. V. L. Torres, P. Deo, C. T. Webb, C. Huang, R. B. Schittenhelm, M. Beeby, J. C. Gumbart, T. Lithgow, I. D. Hay

This study shows that elongated Lpp in E. coli counteracts periplasmic enlargement through homeostatic mechanisms involving Lpp tilting and abundance reduction, impacting cell envelope processes and viability.

bioRxiv · Jan 13, 2021Microbiology

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

A. Pavlova, D. L. Lynch, I. Daidone, L. Zanetti-Polzi, M. D. Smith, C. Chipot, D. W. Kneller, A. Kovalevsky, L. Coates, A. A. Golosov, C. J. Dickson, C. Velez-Vega, J. S. Duca, J. V. Vermaas, Y. T. Pang, , J. C. Gumbart

This study uses molecular dynamics simulations to investigate how inhibitor binding affects the protonation states of histidines in SARS-CoV-2 main protease, showing their impact on structural stability and inhibitor binding.

bioRxiv · Sep 7, 2020Biophysics

Structure and misfolding of the flexible tripartite coiled coil domain of glaucoma-associated myocilin

S. E. Hill, E. Nguyen, R. K. Donegan, A. Hazel, J. C. Gumbart, R. L. Lieberman

This study determines the structure of myocilin's coiled coil domain, revealing a tripartite Y-shaped architecture and how disease variants alter its quaternary structure without affecting stability.

Structure · Nov 1, 2017Peer-reviewedBiochemistry