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Questions related from Manoj Kumar Mahapatra
Is there any approved drugs or natural ingredients with similar mechanism like that of low dose Amisulpride. Is there any specific dose or borderline dose reported at which amisulpride is both...
03 June 2024 5,677 0 View
I have a single file of 3827 molecules in pdb format. When I am loading the file into pyrx, it can't load the molecules. The remaining time shown 699 hours and keep on increasing. My laptop has 8...
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I did MD simulation for 10 ns. the ligand was inside the simulation box upto 10ns. only in the 3rd ns the structure was ok. in all other time one of its double bond was missing. many times the OH...
24 December 2015 9,276 6 View
Can I take the docking result of autodock vina (ligand receptor complex) in pdb format for simulation in desmond?
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My compounds are soluble in Acetone, DMSO. For invitro assay the compound solution is to be made in assay buffer supplied with the kit. But the compounds are not getting dissolved even after...
15 May 2015 798 5 View
See above
04 December 2014 2,909 5 View
Can salts of compounds with reported activity (IC50) can be used to develop a 3D QSAR model?
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Can glucose uptake activity be measured without using radio labelled glucose?
22 July 2014 491 5 View
How can I convert an enzyme pdb file into a topology file for GROMACS use? Note that I don't have the facility to run GROMACS. I have to use its webportal. PRODRG converts only ligands into...
16 June 2014 5,195 3 View
16 June 2014 2,711 4 View
