Ligand Optimization/ Minimization required or not for Molecular Docking?
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- Опубліковано 3 жов 2024
- #ligand #Docking #minimization #cadd
Download and presentations links:
Session on whether to consider dedicated optimization or minimization for ligands before molecular docking.
My presentations: www.slideshare...
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Open Babel : openbabel.org/w...
Please share your valuable feedback and questions in the comment
The Mentee Mentor
wow, amazing information which i really need to know
Thank you for the informative content. I would like to ask two questions. How do we know whether our docking algorithm can take care of the conformation of the cyclic structure, say, cyclic peptide (which either contains or not contains amino acid residues with cyclic functional group like histidine)? What is the minus minus gen 3 that you mentioned? Thank you very much!