Molecular Dynamics Simulation of Paracetamol with A2 Phospholipase
Published: 27 April 2022| Version 1 | DOI: 10.17632/3gwzpyjygf.1
Contributor:
Conor McKenna
Description
This series of files were used in the preparation of a moelcular dynamics simulation of Paracetamol with the A2 phospholipase receptor to analyse and investigate the behaviour of this interaction.The simulation was conducted using the Gromacs software and the CHARMM36 force field.
Files
Institutions
Dublin City University
Categories
Chemistry, Molecular Dynamics, Computational Chemistry