Susantha K Ganegamage

5 Questions 4 Answers 0 Followers

Questions related from Susantha K Ganegamage

Collaboration for Biological Studies of Novel Molecules?

Looking for collaborators for cytotoxicity and confocal microscopy evaluation of novel molecules. Anyone interested?

23 February 2025 8,527 1 View

How to calculate absorption maxima and emission maxima from Gaussian 16 using TD-DFT for S1, S2 and S3 excited states?

I need to generate two tables like Table 2 and Table 3 in the following paper. I have attached the two tables herewith for your convenience. Journal Name: Electronic Properties and...

08 July 2021 4,641 1 View

How do I add partial charges to a molecule using Gaussian without minimization energy?

I have done docking a ligand molecule with a receptor. After the docking, I separated the ligand from the receptor. Now I need to add partial charges to the ligand without minimizing its energy.

18 September 2020 3,455 1 View

What should I do If my ligand penalty values are higher than 50?

I prepared ligand forcefields with CGenFF server according to the method described by http://www.mdtutorials.com/gmx/complex/02_topology.html . But my ligand penalty values are (param penalty=...

29 June 2020 2,145 0 View

AutoDock Running Error?

I have tried to run Autodock by following youtube video ( https://www.youtube.com/watch?v=llaVCIfH0sA ) but when I run AutoDock the error message comes. I have pasted the error message below...

25 February 2020 8,617 8 View