Structural and dynamic determinants of protein-peptide recognition
Protein-peptide interactions play important roles in many cellular processes, including signal
transduction, trafficking, and immune recognition. Protein conformational changes upon …
transduction, trafficking, and immune recognition. Protein conformational changes upon …
The structural basis of peptide-protein binding strategies
Peptide-protein interactions are very prevalent, mediating key processes such as signal
transduction and protein trafficking. How can peptides overcome the entropic cost involved …
transduction and protein trafficking. How can peptides overcome the entropic cost involved …
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 …
places where small molecules cannot make them potential drug candidates. However …
Exploring protein-peptide recognition pathways using a supervised molecular dynamics approach
V Salmaso, M Sturlese, A Cuzzolin, S Moro - Structure, 2017 - cell.com
Peptides have gained increased interest as therapeutic agents during recent years. The
high specificity and relatively low toxicity of peptide drugs derive from their extremely tight …
high specificity and relatively low toxicity of peptide drugs derive from their extremely tight …
Improved modeling of peptide-protein binding through global docking and accelerated molecular dynamics simulations
Peptides mediate up to 40% of known protein-protein interactions in higher eukaryotes and
play a key role in cellular signaling, protein trafficking, immunology, and oncology. However …
play a key role in cellular signaling, protein trafficking, immunology, and oncology. However …
Exploring the molecular design of protein interaction sites with molecular dynamics simulations and free energy calculations
The significant work that has been invested toward understanding protein− protein
interaction has not translated into significant advances in structure-based predictions. In …
interaction has not translated into significant advances in structure-based predictions. In …
Recent advances in computational models for the study of protein–peptide interactions
D Kilburg, E Gallicchio - Advances in protein chemistry and structural …, 2016 - Elsevier
We review computational models and software tools in current use for the study of protein–
peptide interactions. Peptides and peptide derivatives are growing in interest as therapeutic …
peptide interactions. Peptides and peptide derivatives are growing in interest as therapeutic …
Modeling peptide–protein interactions
Peptide–protein interactions are prevalent in the living cell and form a key component of the
overall protein–protein interaction network. These interactions are drawing increasing …
overall protein–protein interaction network. These interactions are drawing increasing …
Peptide docking and structure-based characterization of peptide binding: from knowledge to know-how
Highlights•Accrual of peptide–protein complex structures allowed their detailed
characterization.•This has lead to rapid progress in peptide docking, based on diverse …
characterization.•This has lead to rapid progress in peptide docking, based on diverse …
Coarse-grained simulations of protein-protein association: an energy landscape perspective
Understanding protein-protein association is crucial in revealing the molecular basis of
many biological processes. Here, we describe a theoretical simulation pipeline to study …
many biological processes. Here, we describe a theoretical simulation pipeline to study …