Augustine Besong Arreyetta Bawak

4 Questions 3 Answers 0 Followers

Questions related from Augustine Besong Arreyetta Bawak

How can one convert from a .mol2 to a SMILES file?

I did some work on MOE and saved my work as .mol2 files and now, I wish to convert them to SMILES files but am really having difficulties. I will be really glad if anyone could be of help.

09 June 2021 9,652 9 View

Why are 3-D structures used in Molecular Docking?

I did docking and this was a question that has really been in my mind and after searching, I still did not have an answer which is really satisfactory. Please I will be really grateful if anyone...

05 June 2021 3,369 5 View

Why are some proteins in the protein database bound to more than one native ligand?

I downloaded a protein from the PDB and realized it was bound to two native ligands. So, I wish to know why the protein was bound to the two native ligands and not one.

11 May 2021 5,487 5 View

What is the importance of knowing the protein-ligand interaction after docking is done?

Good day everyone Please I got the protein-ligand interaction diagram after a docking I did. After which, I knew which bond was responsible for the binding of the ligand to the protein but I...

05 May 2021 7,208 2 View