Brandon Novy

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.

DELi is an open-source platform for DNA-encoded library design, decoding, and analysis, demonstrating its effectiveness through the identification of a BRD4 binder.

This study identifies the Retromer complex as a key mediator of MOR recycling via the LENL motif, preventing opioid-induced downregulation.

This paper combines DNA-encoded libraries with generative AI to expand hit compounds, finding AI-selected hits show better drug-likeness and diversity than initial DEL hits.

This study identifies conserved binding sites in filovirus proteins to guide the development of broad-spectrum antivirals, finding high conservation in L and VP40 proteins and validating existing drugs like Remdesivir.

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

This study identifies how DNAJC13's endosomal localization is regulated by its J domain and C-terminal tail through interactions with PI(3)P and oligomerization.

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 identifies novel regulators of mu opioid receptor signaling and trafficking using proximity labeling and proteomics.