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Questions related from Sachin Wazalwar
Dear researchers, I used online tool provided by molinspiration for analysis of bioactivity score of a compound. I obtained following values as outcome GPCR ligand -0.81 Ion channel...
18 September 2021 7,282 1 View
I studied docking interaction of new organic compounds with CYP3A4 and obtained some good interactions compared to Gemcitabine. While studying in vitro activity, which cell line should I choose?...
15 May 2021 5,235 2 View
Dear researchers, I am not obtaining correct structure in output file .mol2 or .pdb from mol file in Open Babel. I am drawing structure in Chemdraw and saving it as .cdx file. Then I save it as a...
20 April 2021 6,701 0 View
I want to try a Doebner-Miller Synthesis reaction without using nitrobenzene or any other oxidizing agent. I want to end up the reaction with non aromatization of nitrogen containing ring. Can...
30 December 2020 390 3 View
Dear Research Colleagues, I am looking for the .pdb file for Spike protein of SARS Cov-2, ACE2 complex and TMPRSS2. I have to use them for Molecular Docking analysis of synthetic organic compounds...
09 September 2020 8,991 3 View
Dear Colleagues, I want to calculate the DBE or double bond character of the carbonyl bond of a aldehyde in Cinnamaldehyde and a beta chloro cinnamaldehyde. I want to compare the DBE or double...
15 January 2020 5,612 0 View
Dear All, I am not able to obtain a .pdb file for CYP3A4 even after trying to remove a ligand and running dockprep command in chimera. Can anyone help me to prepare a file from already docked file...
15 December 2019 9,849 3 View
