AI‐Assisted Protein–Peptide Complex Prediction in a Practical Setting

Accurate prediction of protein–peptide complex structures plays a critical role in structure‐based drug design, including antibody design. Most peptide‐docking benchmark studies were conducted using crystal structures of protein–peptide complexes; as such, the performance of the current peptide dock...

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Bibliographic Details
Published in:Journal of computational chemistry 2025-05, Vol.46 (14), p.e70137-n/a
Main Authors: Wang, Darren Y., Wang, Luxuan, Mi, Andrew, Wang, Junmei
Format: Article
Language:English
Subjects:
AlphaFold 2
ANI‐2x
Artificial intelligence
Crystal structure
docking protocol
Machine Learning
Molecular Docking Simulation
Optimization
Peptides
Peptides - chemistry
prediction protein–peptide complex in a practical setting
Protein Conformation
Proteins
Proteins - chemistry
protein–peptide docking
Receptors
Success
ZDOCK
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