Ziad Fakhoury

A Simulation-Free Topological Basis for Building Compact Koopman Models of Protein Folding

Unravelling protein-folding mechanisms and kinetics is a key challenge to biochemical science. The variational approach for Markov processes (VAMP) is a powerful tool to build Markov Models that capture key kinetic and structural information despite the conformational complexity and long time scales associated with pro...