Continuum mechanical parameterisation of cytoplasmic dynein from atomistic simulation.
Methods
; 185: 39-48, 2021 01.
Article
en En
| MEDLINE
| ID: mdl-32007556
ABSTRACT
Cytoplasmic dynein is responsible for intra-cellular transport in eukaryotic cells. Using Fluctuating Finite Element Analysis (FFEA), a novel algorithm that represents proteins as continuum viscoelastic solids subject to thermal noise, we are building computational tools to study the mechanics of these molecular machines. Here we present a methodology for obtaining the material parameters required to represent the flexibility of cytoplasmic dynein within FFEA from atomistic molecular dynamics (MD) simulations, and show that this continuum representation is sufficient to capture the principal dynamic properties of the motor.
Palabras clave
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Análisis de Elementos Finitos
/
Dineínas Citoplasmáticas
/
Simulación de Dinámica Molecular
Idioma:
En
Revista:
Methods
Asunto de la revista:
BIOQUIMICA
Año:
2021
Tipo del documento:
Article
País de afiliación:
Reino Unido