Umesh Yadava

2 Questions 6 Answers 0 Followers

Questions related from Umesh Yadava

The bond lengths determined by X-ray crystallography are shorter than as determined through Fourier transforms, why?

In x-ray crystallography, the bond lengths are analyzed using inverse Fourier transform of the structure factors. If we simply consider the Fourier transform of the electron densities and then...

25 July 2016 1,087 4 View

What is a suitable time step for MD simulation of protein-ligand complexes?

I'm searching for a suitable time step for MD simulation of protein-ligand complexes.

12 October 2014 1,778 2 View