Rebwar M.Rashid

2 Questions 6 Answers 0 Followers

Questions related from Rebwar M.Rashid

DNA or G4 binding molecule in autodock should be charged with kollman charges or Gasteiger chareges?

I am trying to dock a small molecule to G-quadruplex but I have some technical difficulties preparing the grid, the dlg file shows a fatal error due to the grid preparation parameters. Thank you...

10 November 2020 6,117 4 View

Optimization in DFT?

I have large molecule I want to optimize its structure before the calculation. Would you please suggest a desired basis set. Thanks in advance

15 November 2018 2,269 13 View