PHENOMS: Open-Source Software for Rust-Accelerated Hydrogen-Bond Analysis in Molecular Dynamics Simulations
Brandon Novy, Shu-Hang Lin, Rishabh Dey, Brenda R. S. Temple, Nicole Hajicek, Evgeniy V. Petrotchenko, Christoph H. Borchers, John Sondek, Konstantin I. Popov
PHENOMS analyzes hydrogen-bond networks in molecular dynamics simulations using Rust-accelerated code, achieving significant speedup over Python-based tools and demonstrating its utility with HDX-MS data.
bioRxiv · Oct 30, 2026 · PreprintBiophysics