QSAR study for lead optimisation and docking for lead identification
For virtual screening/lead identification you may use PyRx, which uses AutoDock 4 and AutoDock Vina for docking: http://pyrx.sourceforge.net/
Copper Chrome Boron (CCB) is one of the wood preservatives. Which method gives the highest yield in the synthesis of CCB? Their raw materials are copper sulphate, Sodium dichromate and Borax.
11 December 2016 3,969 0 View
Liquid sulphur is used as a fungicides in agricultutre, while lime sulphur is also fungicides. Sulphur itself insoluble in water, so lime sulphur is a liquid sulpha., What is Liquid sulphur then?
07 August 2013 1,074 2 View
Toluene react with chlorosulphonic acid to produce o-toluene sulphonyl chloride at zero degree temperature but in that more than 20 % p-toluene sulphonyl chloride is form. What is the best...
07 August 2013 6,840 6 View
I have synthesised 36 compounds series having indole moeity, and evaluated their Antifungal MIC value, Now I want to perfom QSAR to predict the potent compound in this series. Suggest the best...
07 August 2013 527 1 View
With less polution and appling some green chemistry approach
06 July 2013 5,318 5 View
I am preparing titanium dioxide rutile without using Chloride and Sulphate process. I got good % purity of this but it has less dispersibility and whiteness. So how can it be increased?
06 July 2013 3,100 4 View
Tmsoi
09 October 2012 252 2 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