Open protocols for docking and MD-based scoring of peptide substrates

The study of protein-peptide interactions is an active research field from an experimental and computational perspective, with the latest presenting challenges to model and simulate the peptides' intrinsic flexibility. Predicting affinities towards protein systems of interest, such as proteases...

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Bibliographic Details
Main Authors: Rodrigo Ochoa, Ángel Santiago, Melissa Alegría-Arcos
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Artificial Intelligence in the Life Sciences
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2667318522000149