Aditya Sharma

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Questions related from Aditya Sharma

Is there supposed to be any correlation between percentage inhibition at different concentrations and IC50 value for kinase inhibitors?

For instance in a set of kinase inhibitors being tested, Inhibitor A shows excellent % inhibition - >85% at 5nM concentration, 45% at 10nM, 30% at 100nM and so on) and gives an IC50 value of...

20 March 2020 8,436 4 View

Are there any freely available softwares/webservers which can generate acombinatorial compound library by adding varied fragments to a given scaffold?

I've a specific scaffold with a known binding mode and activity against a particular target, and I want to explore the chemical space around that scaffold by generating a library of compounds with...

16 August 2018 2,019 5 View

Source of errors in the 'Minimize program' and 'pdbxyz program' of Tinker (version 7), pertaining to use of appropriate force fields or missing atoms?

1. When I convert the pdb file into Cartesian coordinate file using pdbxyz program, irrespective of the force filed used, I get a warning that two of the atoms have the exact same coordinates....

24 April 2015 6,102 4 View