Molecular Dynamics Simulation and Docking of MUC1 O-Glycopeptide.
Methods Mol Biol
; 2763: 373-379, 2024.
Article
in En
| MEDLINE
| ID: mdl-38347427
ABSTRACT
Advances in computer performance and computational simulations allow increasing sophistication in applications in biological systems. Molecular dynamics (MD) simulations are especially suitable for studying conformation, dynamics, and interaction of flexible biomolecules such as free glycans and glycopeptides. Computer simulations are best performed when the scope and limitations in performance have been thoroughly assessed. Proper outputs are obtained only under suitable parameter settings, and results need to be properly validated. In this chapter, we will introduce an example of molecular dynamics simulations of MUC1 O-glycopeptide and its docking to anti-MUC1 antibody Fv fragment.
Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Mucin-1
/
Molecular Dynamics Simulation
Language:
En
Journal:
Methods Mol Biol
/
Methods in molecular biology
/
Methods mol. biol
Journal subject:
BIOLOGIA MOLECULAR
Year:
2024
Document type:
Article
Affiliation country:
Japón
Country of publication:
Estados Unidos