Aditya Sharma

2 Questions 15 Answers 0 Followers

Questions related from Aditya Sharma

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 1,971 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 6,057 4 View