Manikanta Murahari

6 Questions 10 Answers 0 Followers

Questions related from Manikanta Murahari

Can anyone sugguest a way for increasing significant figures in docking score of autodock vina??

We did a virtual screening of database using autodock vina. We started ranking the molecules based on docking score and observed three molecules of different chemical structure with same docking...

16 May 2023 7,372 4 View

Cross-docking vs Self-docking?

Self-docking and Cross-docking in terms of rigid vs flexible docking results tells that conformations are independent for every ligand and protein in the complex. So is docking a right way of...

11 February 2020 1,505 2 View

Effect of solvents- Ethanol vs DMSO in in vitro cytotoxicity evaluation by SRB assay?

We are planning to screen synthetic compounds for in vitro cytotoxicity by SRB assay method. All the compounds are soluble in ethanol and DMSO. Can we screen the compounds by dissolving in...

28 August 2016 5,030 2 View

How can one determine log P and pKa for hydrophobic and neutral compounds?

I have tried by Shake flask method using octanol-buffer and potentiometric titrations. Shake flask method- Compounds are acridone derivatives and are insoluble in water. Tried to dissolve using...

02 December 2014 9,048 4 View

Which type of molecules will have more binding affinity to AT pairs and which type to GC pairs of DNA?

Can any structural features be identified for the binding affinity and what could be the reason for that?

16 May 2014 6,587 2 View

Can anyone help me in docking study of DNA-Ligand interactions using Autodock?

I am trying to dock a ligand with DNA using autodock. In the preparation of flexible and rigid DNA, how should I choose and what code to be given? As in protein, interactions of amino acids in...

08 May 2014 1,838 1 View