[gmx-users] Collaboration request

Malihe Hasanzadeh ml.hasanzadeh at gmail.com
Sat Nov 14 08:46:30 CET 2015


*I performed a MD simulation of protein-ligand for 10 ns. I had two enzymes
with six ligands as dual inhibitors. Experimental assay only for one of the
enzymes was reported, but I did molecular dynamics for both of them. *

*Now I want to calculate binding energy for each ligand with two proteins,
but unfortunately it is impossible in our laboratory, due to lack of
suitable facilities for this performance. As this calculation is really
necessary for my paper fulfillment, I am wondering if someone would
generously collaborate with us to complete this work. *


Malihe Hassanzadeh

More information about the gromacs.org_gmx-users mailing list