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Research: CANCER Folding Project #12492

Project #12492 overview

Project Summary AI Beta

This project uses computer simulations to figure out how well drugs bind to their targets. Users create simulation tasks, which are then run on powerful computers. This helps researchers find new and better medicines.
Automated summary; simplified and may not be fully accurate.

Project team

Manager(s)
Prof. Vincent Voelz
Institution
Temple University

Work unit

Atoms
50,000
Core
0x27
Status
Public

No related projects listed.

Source material

Official Project Description

These projects are relative binding free energy calculations orchestrated via alchemiscale.org.

Networks of alchemical transformations are submitted by alchemiscale users, and transformations that can be performed by Folding@Home are executed via these projects. This work, a collaboration between the Voelz and Shirts lab, seeks to test and apply OpenFreeEnergy methods for drug discovery.