GC-471 M-Script: Accelerating Preparatory and Analytical Phases in MD Simulations
Location
https://ccse.kennesaw.edu/computing-showcase/cday-programs/fall23program.php
Document Type
Event
Start Date
30-11-2023 4:00 PM
Description
"M-Script" revolutionizes Molecular Dynamics (MD) simulations by automating time-consuming preparatory and analytical tasks. Traditional folder preparation and salt bridge data extraction, taking 25 and 30 seconds respectively, are reduced to 1.5 and 0.5 seconds with M-Script. This efficiency is achieved through tailored TCL and Python scripts, optimizing the process for high-volume protein analysis. M-Script not only saves time but also enhances the focus on scientific discovery, promising significant strides in biotechnological research and protein behavior understanding.
GC-471 M-Script: Accelerating Preparatory and Analytical Phases in MD Simulations
https://ccse.kennesaw.edu/computing-showcase/cday-programs/fall23program.php
"M-Script" revolutionizes Molecular Dynamics (MD) simulations by automating time-consuming preparatory and analytical tasks. Traditional folder preparation and salt bridge data extraction, taking 25 and 30 seconds respectively, are reduced to 1.5 and 0.5 seconds with M-Script. This efficiency is achieved through tailored TCL and Python scripts, optimizing the process for high-volume protein analysis. M-Script not only saves time but also enhances the focus on scientific discovery, promising significant strides in biotechnological research and protein behavior understanding.