8 Questions 28 Answers 0 Followers
Questions related from Karthick Thangavel
I am trying to find the Hansen solubility parameters for screening miscible substances. Could anyone suggest an open-source online tool to calculate the Hansen Solubility parameter or any other...
22 January 2024 5,726 3 View
In the conformation analysis, I optimized the structure of previously reported one (experimental). To minimize the energy of the conformers, I performed 2D scan along the possible dihedral angles....
23 February 2016 8,139 1 View
I tried to find the potential energy distribution for the attached molecule. Actually, this molecule consists of 32 atoms and it has 34 bonds between the atoms. My doubt is that totally, there are...
13 February 2015 7,340 3 View
i want to calculate the vibrational frequencies with different temperatures of the molecule. Using Gaussian, how can i calculate the above?
17 September 2014 8,900 2 View
I need to build a new molecular group containing number of atoms more than 30. Can you suggest a free download software to build a molecule only by giving chemical formula as input?
29 August 2014 3,211 3 View
I did the docking simulation of the ligand thiophene-2-carboxylic acid with 1CX2 and 1PTH using the swissdock web server. I got the docking results (deltaG) with diagram. How do I write up by...
23 June 2014 2,631 0 View
I tried to find the vibrational frequency of a molecule. After 7 hours of process, power was cut-off. So the system is terminated abnormally without the availability of power. I found there is a...
11 June 2014 7,679 1 View
I tried HADDOCK web server for docking studies. I can't understand what type of input I need to submit, and I need to know about active and passive residuals of my compound. I have chosen...
27 May 2014 7,382 7 View
