Bakary Ntji Diallo

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Questions related from Bakary Ntji Diallo

How to plot Gromacs protein-ligand hydrogen bonding as a line?

I want to plot the time serie data of number of hydrogen bond (between protein-ligand) from a MD simulation with Gromacs as in this...

27 April 2018 9,990 2 View

Do you think Autodock_Zn will give better results than Vina and AutdoDock for a protein containing manganese?

I want to screen a protein having a manganese atom in its active site. I would like to know which Autodock tool will give better results? I previously used Autodock Vina but was not satisfied...

29 March 2018 6,169 5 View

Measure bond length, angles and dihedral of all atoms in a subset of metalloprotein active site?

I have a subset of a protein active site containing a metal and its coordinating residues. Is there a tool to automatically measure all bond length, all angles and dihedrals in the subset.

13 October 2017 7,833 3 View