Award
National Institute of General Medical Sciences 5R16GM150512-03
Enabling Rational Design of Drug Targeting Protein-Protein Interactions with Physics-based Computational Modeling
Recipient
Rochester Institute of Technology, Rochester, NY, United States
Award Amount
$185,000.00
Ceiling
$185,000.00
Awarded
August 05, 2025
Identifier
5R16GM150512-03
Development of computational tools using physics-based simulations to predict protein-protein interactions and aid drug design targeting these interactions, focusing on diseases like cancer and infectious diseases.
Description
This project aims to develop computational tools leveraging physics-based simulations, such as molecular dynamics and the MELD method, to predict and analyze protein-protein interactions (PPIs). The goal is to facilitate the rational design of drugs targeting PPIs, which are crucial in disease mechanisms like cancer and infectious diseases. The project includes developing protocols to quantify mutation effects on protein interactions and screening drugs based on their impact on PPIs.