Modelling peptide–protein complexes: docking, simulations and machine learning
Peptides mediate up to 40% of protein interactions, their high specificity and ability to bind in places where small molecules cannot make them potential drug candidates. However, predicting peptide–protein complexes remains more challenging than protein–protein or protein–small molecule interaction...
Main Authors: | Arup Mondal, Liwei Chang, Alberto Perez |
---|---|
Format: | Article |
Language: | English |
Published: |
Cambridge University Press
2022-01-01
|
Series: | QRB Discovery |
Subjects: | |
Online Access: | https://www.cambridge.org/core/product/identifier/S263328922200014X/type/journal_article |
Similar Items
-
Towards rational computational peptide design
by: Liwei Chang, et al.
Published: (2022-10-01) -
Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach
by: Alfizah Hanafiah, et al.
Published: (2024-03-01) -
Molecular Dynamics Scoring of Protein–Peptide Models Derived from Coarse-Grained Docking
by: Mateusz Zalewski, et al.
Published: (2021-05-01) -
Calcium Binding Mechanism of Soybean Peptide with Histidine Alteration by Molecular Docking Analysis and Spectroscopic Methods
by: Jing Gan, et al.
Published: (2022-10-01) -
Accelerating the Screening of Small Peptide Ligands by Combining Peptide-Protein Docking and Machine Learning
by: Josep-Ramon Codina, et al.
Published: (2023-07-01)