@inbook{30000c59ebd84aceb1cd1064da26a324,
title = "Beyond standard molecular dynamics: Investigating the molecular mechanisms of G protein-coupled receptors with enhanced molecular dynamics methods",
abstract = "The majority of biological processes mediated by G Protein-Coupled Receptors (GPCRs) take place on timescales that are not conveniently accessible to standard molecular dynamics (MD) approaches, notwithstanding the current availability of specialized parallel computer architectures, and efficient simulation algorithms. Enhanced MD-based methods have started to assume an important role in the study of the rugged energy landscape of GPCRs by providing mechanistic details of complex receptor processes such as ligand recognition, activation, and oligomerization. We provide here an overview of these methods in their most recent application to the field.",
keywords = "Biased simulations, Coarse-graining, Dimers, Enhanced methods, Free-energy calculations, GPCR activation, GPCR dynamics, GPCR function, GPCR structure, Ligand recognition, Metadynamics, Molecular mechanisms, Oligomerization, Umbrella sampling",
author = "Johnston, {Jennifer M.} and Marta Filizola",
year = "2014",
doi = "10.1007/978-94-7-7423-0_6",
language = "English",
isbn = "9789400774223",
series = "Advances in Experimental Medicine and Biology",
publisher = "Springer New York LLC",
pages = "95--125",
booktitle = "G Protein-Coupled Receptors - Modeling and Simulation",
}