1 citations · 1 across the 4 of their papers we have counts for
4 papers
Neural Upscaling from Residue-level Protein Structure Networks to Atomistic Structure
Vy Duong, Elizabeth Diessner, Gianmarc Grazioli +2
Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in which biomolecules or…
Local Graph Stability in Exponential Family Random Graph Models
Yue Yu, Gianmarc Grazioli, Nolan E. Phillips +1
Exponential family Random Graph Models (ERGMs) can be viewed as expressing a probability distribution on graphs arising from the action of competing social forces that make ties mo…
Advancements in Milestoning II: Calculating Autocorrelation from Milestoning Data Using Stochastic Path Integrals in Milestone Space
Gianmarc Grazioli, Ioan Andricioaei
The Milestoning method has achieved great success in the calculation of equilibrium kinetic properties such as rate constants from molecular dynamics simulations. The goal of this…
Advancements in Milestoning I: Accelerated Milestoning via "Wind" Assisted Re-weighted Milestoning (WARM)
Gianmarc Grazioli, Ioan Andricioaei
The Milestoning algorithm created by Ron Elber et al. is a method for determining the time scale of processes too complex to be studied using brute force simulation methods. The fu…