5 Questions 9 Answers 0 Followers
Questions related from Sunidhi Bhatt
what are the alternate servers for PRODRG to generate ligand topology? I have tried ATB, ACPYPE also but ligand gets detached from the protein while generation complex.gro file in the MD run....
24 April 2023 7,741 3 View
Which tools are best for prediction of binding pocket or active site of protein to perform molecular docking? Thanks!!
23 February 2023 5,838 3 View
I'm searching for free software for the QMMM calculations of protein-ligand complexes. Kindly suggest.
14 January 2023 5,854 7 View
How can I calculate binding free energy between protein and ligand complex after running protein_ligand complex md simulation? Thanks in advance!
26 July 2022 9,379 2 View
I am performing protein-ligand complex MD simulation after docking. The ligand stays intact intially but is found far away in md.gro file from protein during the md run of 100ns. Kindly help me...
22 June 2022 1,285 2 View