Victoria Perrone

Rational modulation of the induced-fit conformational change for slow-onset inhibition in M. tuberculosis InhA

M. García-Díaz, P. Tonge, C. Simmerling, 2016 .

Folding Simulations for Proteins with Diverse Topologies Are Accessible in Days with a Physics-Based Force Field and Implicit Solvent

He Huang, C. Simmerling, James Maier, 2014, Journal of the American Chemical Society.

Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.

M. García-Díaz, P. Tonge, C. Simmerling, 2015, Biochemistry.