Tool:How Study Aromatic-Aromatic Interactions And Amino-Aromatic Interactions Of Protein-Ligands Complexes In The Pdb.
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7.5 years ago
bagaruwa • 0

Dear all,

What are the best ways to study aromatic-aromatic interactions and amino-aromatic interactions between protein binding site residues and ligands in the PDB. What are the best free and paid softwares I can use to do an excellent job.

Thank you,

Dr. Abubakar Abdullahi.

pdb Tool • 2.8k views
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7.5 years ago

Software and databases from CCDC can perfectly do this job, but it's paid. Also interaction fingerprints (IFP) can encode the aromatic interactions between protein and ligand: PLIF - opensource IFP library, honestly don't know if the aromatic interaction is included in it. FingerPrintLib - by Didier Rognan Lab, - can definitely do fingerprint calculation with detection of aromatic interaction (two types).

PS: Actually there are tons of literature about aromatic interaction of the amino acids and ligands in protein-ligand complexes.

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