Development and validation of an adjustment factor for the AutoDock4 scores of ACE inhibitors

Development and validation of an adjustment factor for the AutoDock4 scores of ACE inhibitors

Molecular docking is a powerful technique for simulating ligand-protein interactions and predicting how drugs interact with their targets. However, it often produces scores that do not correlate with experimental binding affinity. Thus, the researchers aimed to determine an ideal ligand preparation...

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Bibliographic Details
Main Authors: Asia, Albert Thomas L. (Author), Bayle, Franco Angelo C. (Author)
Other Authors: Dornagon, Rhoen Mae P. (author .), Padilla, Vince Lambert H. (adviser .)
Format: Thesis
Language:English
Subjects:
Molecular models.
ACE inhibitors.