Evgeniy V. Petrotchenko

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.

This study shows that KDM6A deletion in female kidney tubule cells causes fibrosis and metabolic dysfunction, while males are unaffected due to compensatory UTY expression.

This study combines LiP-MS and molecular dynamics simulations to prioritize KRas G12D inhibitors by analyzing cleavage site protection and binding affinity.

The paper uses HDX-MS and MD simulations to analyze KRas G12D-inhibitor interactions, showing a correlation between binding affinity and structural changes.

The paper develops a mass-spectrometry-based method to detect SARS-CoV-2 virus by identifying the nucleocapsid N protein in nasopharyngeal swabs, showing high sensitivity and simplicity.