Is steric hindrance increases the Non-1,4 VDW energy or not?
I did a simple organic reaction where I left with excess of Polyhydroxymethylsiloxane (PHMS) in the final product solution. I tried to extract it with aqueous layer, but I failed. Let me know, if...
08 September 2015 2,705 3 View
06 July 2015 9,678 15 View
when we do superpose of 3 pdbs together (1 on 2, 2 on 3, 3 on 1) and after that if we change the sequence of superposition, will there be any possibility to see the change in RMSD value (before...
05 June 2015 8,043 7 View
I have 6 receptors and only 1 ligand. In the meantime I interested to do the docking in all these receptor. Is there any way where we have a generalised way to dock this compound to these receptor...
10 November 2014 4,379 12 View
10 November 2014 3,066 5 View
Hi I am looking for a MD simulation calculations for Small molecule-Protein interaction. But right now I am limited to Windows. So please let me know if there is any software which is useful in...
10 November 2014 3,788 10 View
I want to know about the tools available for searching for a protein or receptor for a known ligand.
09 October 2014 6,140 9 View
What is the best reagent which can be useful in the reduction of 2,4-dinitrobenzaldeyde?
07 August 2014 1,744 16 View
What we know is that the proteins get acetylated at lysine moiety. But looking into the structure, we got around more than one lysine moiety. Then how it can be possible to find out which lysine...
07 August 2014 1,090 6 View
Recently I was encountered with a problem where structure shown in figure is not able to get converted to any product. May be possibly due to its resonance effect or any other effect between the...
06 July 2014 1,563 18 View
Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
17 August 2021 0 0 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
20 June 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
