Malathi Kullappan

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Questions related from Malathi Kullappan

In beta-lactamases..ex: OXA-23, KPC-3 ..etc., the number after the enzyme indicates what?

beta lactamases...the numbers OXA-23, OXA-143, KPC-2, IMP-1 what these numbers are denoting?.

07 July 2017 6,823 2 View

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...

11 November 2016 4,619 4 View

If a PDB coordinate file has missing residues. How can i repair the protein?

suggest tools to repair missing residues in PDB coordinate file

06 June 2016 2,821 2 View

Can anybody send gromacs tutorial for protein - ligand complex MD simulation in ubuntu?

gromacs tutorial for simulation

03 March 2015 3,852 0 View

How can I get a protein-ligand complex from sybyl x 2.0 for MD run and how can we separate the ligand from the protein?

sybyl x protein - ligand complex

03 March 2015 333 2 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.

03 March 2015 2,240 10 View

How can I rectify the following error in Gromacs?

In grompp in ion.trp filr creation there occur error. Fatal Error, Too much Warning (1), use option -maxwarn. could anybody tell me how to use this option, if i use this option its asking for...

03 March 2015 9,454 3 View

In GROMACS when I give a PDB file its showing the error that HE1 atom not found in topology. How can I rectify it?

gromacs forcefield error

03 March 2015 7,126 2 View

Why are we adding hydrogen, removing side chains and removing ligand substructure in molecular docking?

I'm referring to molecular docking sybyl version 2.0

10 October 2014 8,415 5 View