Enhanced Sampling Methods for the Computation of Conformational Kinetics in Macromolecules. - Gianmarc Grazioli (2016)

Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector Machines. - Gianmarc Grazioli; Saswata Roy; Carter T. Butts (J. Chem. Inf. Model., 2019)

Neural Upscaling from Residue-level Protein Structure Networks to Atomistic Structure. - Vy Duong; Elizabeth Diessner; Gianmarc Grazioli; Rachel W. Martin; Carter T. Butts (CoRR, 2021)

Local Graph Stability in Exponential Family Random Graph Models. - Yue Yu; Gianmarc Grazioli; Nolan E. Phillips; Carter T. Butts (SIAM J. Appl. Math., 2021)