442 citations · 947 across the 8 of their papers we have counts for
8 papers
Heterogeneous biological membranes regulate protein partitioning via fluctuating diffusivity
Ken Sakamoto, Takuma Akimoto, Mayu Muramatsu +3
Cell membranes phase separate into ordered and disordered domains depending on their compositions. This membrane compartmentalization is heterogeneous and r…
Martini 3 Coarse-Grained Force Field for Carbohydrates
Fabian Grünewald, Mats H. Punt, Elizabeth E. Jefferys +8
The Martini 3 force field is a full re-parametrization of the Martini coarse-grained model for biomolecular simulations. Due to the improved interaction balance it allows for more…
Specific interactions of peripheral membrane proteins with lipids: what can molecular simulations show us?
Andreas Haahr Larsen, Laura H. John, Mark S. P. Sansom +1
Peripheral membrane proteins can reversibly and specifically bind to biological membranes to carry out functions such as cell signalling, enzymatic activity, or membrane remodellin…
Influence of water models on water movement through AQP1
Miguel A. Gonzalez, Alberto Zaragoza, Charlotte I. Lynch +2
Water diffusion through membrane proteins is a key aspect of cellular function. Essential processes of cellular metabolism are driven by osmotic pressure, which depends on water ch…
Opening a hydrophobic gate: the nicotinic acetylcholine receptor as an example
Sarah E. Rogers, Kaihsu Tai, Oliver Beckstein +1
To what extent must a hydrophobic gate expand for the channel to count as open? We address this question using the nicotinic acetylcholine receptor (nAChR) as the exemplar. The nAC…
A Hydrophobic Gate in an Ion Channel: The Closed State of the Nicotinic Acetylcholine Receptor
Oliver Beckstein, Mark S. P. Sansom
The nicotinic acetylcholine receptor (nAChR) is the prototypic member of the `Cys-loop' superfamily of ligand-gated ion channels which mediate synaptic neurotransmission, and whose…
The influence of geometry, surface character and flexibility on the permeation of ions and water through biological pores
Oliver Beckstein, Mark S. P. Sansom
A hydrophobic constriction site can act as an efficient barrier to ion and water permeation if its diameter is less than the diameter of an ion's first hydration shell. This hydrop…
Liquid-vapor oscillations of water in hydrophobic nanopores
Oliver Beckstein, Mark S. P. Sansom
Water plays a key role in biological membrane transport. In ion channels and water-conducting pores (aquaporins), one dimensional confinement in conjunction with strong surface eff…