Exchange pathways of plastoquinone and plastoquinol in the photosystem II complex

Martini straight: Boosting performance using a shorter cutoff and GPUs

(2016) Djurre H. de Jong et al.   COMPUTER PHYSICS COMMUNICATIONS

Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale

(2016) Matthieu Chavent et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Molecular Dynamics of Photosystem II Embedded in the Thylakoid Membrane

(2016) Floris J. van Eerden et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure of spinach photosystem II–LHCII supercomplex at 3.2 Å resolution

(2016) Xuepeng Wei et al.   NATURE

The plastoquinol–plastoquinone exchange mechanism in photosystem II: insight from molecular dynamics simulations

(2016) Veranika Zobnina et al.   PHOTOSYNTHESIS RESEARCH

Molecular mechanism of cardiolipin-mediated assembly of respiratory chain supercomplexes

(2016) C. Arnarez et al.   Chemical Science

Dynamics of Crowded Vesicles: Local and Global Responses to Membrane Composition

(2016) Daniel A. Holdbrook et al.   PLoS One

Characterization of thylakoid lipid membranes from cyanobacteria and higher plants by molecular dynamics simulations

(2015) Floris J. van Eerden et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

(2015) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

Atomistic and Coarse Grain Topologies for the Cofactors Associated with the Photosystem II Core Complex

(2015) Djurre H. de Jong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Organization and Dynamics of Receptor Proteins in a Plasma Membrane

(2015) Heidi Koldsø et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure/Function/Dynamics of Photosystem II Plastoquinone Binding Sites

(2014) Maya Lambreva et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

Multiple branched adaptive steered molecular dynamics

(2014) Gungor Ozer et al.   JOURNAL OF CHEMICAL PHYSICS

Lipid Organization of the Plasma Membrane

(2014) Helgi I. Ingólfsson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Natural strategies for photosynthetic light harvesting

(2014) Roberta Croce et al.   Nature Chemical Biology

Martini Force Field Parameters for Glycolipids

(2013) César A. López et al.   Journal of Chemical Theory and Computation

Deletion of psbJ leads to accumulation of Psb27–Psb28 photosystem II complexes in Thermosynechococcus elongatus

(2012) Marc M. Nowaczyk et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Improved Parameters for the Martini Coarse-Grained Protein Force Field

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

How Does the QBSite Influence Propagate to the QASite in Photosystem II?

(2011) Hiroshi Ishikita et al.   BIOCHEMISTRY

Light-induced quinone reduction in photosystem II

(2011) Frank Müh et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Cytochrome b559 and cyclic electron transfer within photosystem II

(2011) Katherine E. Shinopoulos et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å

(2011) Yasufumi Umena et al.   NATURE

Occurrence, biosynthesis and function of isoprenoid quinones

(2010) Beatrycze Nowicka et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition

(2009) Xavier Periole et al.   Journal of Chemical Theory and Computation

Cyanobacterial photosystem II at 2.9-Å resolution and the role of quinones, lipids, channels and chloride

(2009) Albert Guskov et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation