Biology Reference
In-Depth Information
CHAPTER
4
Simulating G Protein-
Coupled Receptors in
Native-Like Membranes:
From Monomers to
Oligomers
Ramon Guix ` -Gonz ´ lez
*
, Juan Manuel Ram´rez-Anguita
*
, Agnieszka A. Kaczor
{,{
,
and Jana Selent
*
*
Research Programme on Biomedical Informatics (GRIB), Department of Experimental and Health
Sciences, Universitat Pompeu Fabra/IMIM (Hospital del Mar Medical Research Institute),
Dr. Aiguader, Barcelona, Spain
{
Department of Synthesis and Chemical Technology of Pharmaceutical Substances, Faculty
of Pharmacy with Division for Medical Analytics, Lublin, Poland
{
School of Pharmacy, University of Eastern Finland, Kuopio, Finland
CHAPTER OUTLINE
Introduction .............................................................................................................. 64
4.1 Membranes........................................................................................................ 65
4.1.1 The Importance of Modeling Physiological Membranes ........................ 65
4.1.2 Building and Simulating Membranes.................................................. 66
4.1.3 Analysis and Interpretation of Membrane Simulations.......................... 68
4.2 GPCR Monomers in Membranes .......................................................................... 72
4.2.1 Modeling GPCRs .............................................................................. 73
4.2.2 Building and Simulating GPCR-Membrane Complexes......................... 74
4.2.3 Studying GPCR-lipid Interactions from Simulations: Quantification
of Membrane Remodeling and Residual Mismatch .............................. 75
4.3 GPCR Dimers and Oligomers in Membranes.......................................................... 80
4.3.1 Modeling GPCR-GPCR Interactions.................................................... 80
4.3.2 Simulating GPCR Heteromers: All-Atom Versus CG Simulations............ 81
References ............................................................................................................... 83
