Article

Evaluation of Structure Prediction and Molecular Docking Tools for Therapeutic Peptides in Clinical Use and Trials Targeting Coronary Artery Disease

2024-12-16

Abstract excerpt

This study evaluates the performance of various structure prediction tools and molecular docking platforms for therapeutic peptides targeting coronary artery disease (CAD). Structure prediction tools, including AlphaFold 3, I-TASSER, and PEP-FOLD 4, were employed to generate accurate peptide conformations. These methods, ranging from deep learning-based (AlphaFold) to template-based (I-TASSER) and fragment-based (...

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Literature Corpus work: dd72d9ec-3fe7-5985-b444-03f3fd2f7c4d
DOI: 10.20944/preprints202412.1333.v1

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