Malathi Kullappan

3 Questions 3 Answers 0 Followers

Questions related from Malathi Kullappan

How to run MD simulation for metallo enzymes having zn in GROMACS?

I want to do MD simulation for metallo enzyme as well as protein-ligand complex in GROMACS. But when i use the pdb structure with zn ions it showing error. Help me to sort out this problem. Which...

08 November 2016 9,033 3 View

How can I rectify the following GROMACS error? Fatal error: Atom HB3 in residue SER 3 was not found in rtp entry SER with 8 atoms while sorting atoms.

rectify my error Fatal error:Atom HB3 in residue SER 3 was not found in rtp entry SER with 8 atomswhile sorting atoms.

27 March 2015 9,459 12 View

What is QSAR with COMFA and COMSIA ?

QSAR with Comparative molecular field analysis (COMFA) and comparative molecular similarity index analysis (COMSIA)

28 October 2014 1,535 4 View