Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase. - Gabriel Monteiro da Silva; Jordan Yang; Bunlong Leang; Jessie Huang; Daniel M. Weinreich; Brenda M. Rubenstein (PLoS Comput. Biol., 2022)

A topological data analytic approach for discovering biophysical signatures in protein dynamics. - Wai-Shing Tang; Gabriel Monteiro da Silva; Henry Kirveslahti; Erin Skeens; Bibo Feng; Timothy Sudijono; Kevin K. Yang; Sayan Mukherjee 001; Brenda M. Rubenstein; Lorin Crawford (PLoS Comput. Biol., 2022)