Fahimeh Baftizadeh

2 Questions 6 Answers 0 Followers

Questions related from Fahimeh Baftizadeh

What is the best test to check a force field for studying nucleation?

I would like to study nucleation of drug compounds from ethanol solution. Most of the force fields are parametrized based on heat of sublimation or solvation free energy in water. But I have two...

01 January 2014 1,553 1 View

How to compute the Lattice energy from MD simulations?

I would like to test the force field that I am using for MD simulations of pharmaceuticals. I thought one way could be comparing the lattice energy coming from classical MD with the lattice energy...

07 July 2013 8,111 2 View