Molecular Dynamics Simulation of Paracetamol with A2 Phospholipase
Published: 27 April 2022| Version 1 | DOI: 10.17632/3gwzpyjygf.1
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.
Dublin City University
Chemistry, Molecular Dynamics, Computational Chemistry