J. C. Gumbart

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.

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.

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.

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.

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.