7 Questions 12 Answers 0 Followers
Questions related from Manikanta Murahari
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 7,494 4 View
Looking for a freeware to predict 2D and 3D chemical descriptors for a set of molecules to build QSAR model. Thanks in advance.
03 June 2021 4,624 3 View
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 1,564 2 View
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 5,078 2 View
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 9,098 4 View
Can any structural features be identified for the binding affinity and what could be the reason for that?
16 May 2014 6,632 2 View
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 1,882 1 View
