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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 7,237 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?...
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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...
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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 8,911 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 5,570 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 9,813 3 View
