Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation

MP Muller, T Jiang, C Sun, M Lihan, S Pant… - Chemical …, 2019 - ACS Publications
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …

Specific interactions of peripheral membrane proteins with lipids: what can molecular simulations show us?

AH Larsen, LH John, MSP Sansom… - Bioscience …, 2022 - portlandpress.com
Peripheral membrane proteins (PMPs) can reversibly and specifically bind to biological
membranes to carry out functions such as cell signalling, enzymatic activity, or membrane …

The high-affinity calcium sensor synaptotagmin-7 serves multiple roles in regulated exocytosis

DD MacDougall, Z Lin, NL Chon, SL Jackman… - Journal of General …, 2018 - rupress.org
Synaptotagmin (Syt) proteins comprise a 17-member family, many of which trigger
exocytosis in response to calcium. Historically, most studies have focused on the isoform Syt …

Calcium-dependent docking of synaptic vesicles

M Silva, V Tran, A Marty - Trends in Neurosciences, 2021 - cell.com
The concentration of calcium ions in presynaptic terminals regulates transmitter release, but
underlying mechanisms have remained unclear. Here we review recent studies that shed …

Molecular determinants of the N-terminal acetyltransferase Naa60 anchoring to the Golgi membrane

H Aksnes, M Goris, Ø Strømland, A Drazic… - Journal of Biological …, 2017 - ASBMB
Nα-Acetyltransferase 60 (Naa60 or NatF) was recently identified as an unconventional N-
terminal acetyltransferase (NAT) because it localizes to organelles, in particular the Golgi …

Binding of Ca2+-independent C2 domains to lipid membranes: A multi-scale molecular dynamics study

AH Larsen, MSP Sansom - Structure, 2021 - cell.com
C2 domains facilitate protein interactions with lipid bilayers in either a Ca 2+-dependent or-
independent manner. We used molecular dynamics (MD) simulations to explore six Ca 2+ …

Differential membrane binding mechanics of synaptotagmin isoforms observed in atomic detail

JV Vermaas, E Tajkhorshid - Biochemistry, 2017 - ACS Publications
Synaptotagmin (Syt) is a membrane-associated protein involved in vesicle fusion through
the SNARE complex that is found throughout the human body in 17 different isoforms. These …

Membrane-binding cooperativity and coinsertion by C2AB tandem domains of synaptotagmins 1 and 7

HT Tran, LH Anderson, JD Knight - Biophysical journal, 2019 - cell.com
Abstract Synaptotagmin-1 (Syt-1) and synaptotagmin-7 (Syt-7) contain analogous tandem
C2 domains, C2A and C2B, which together sense Ca 2+ to bind membranes and promote …

Membrane models for molecular simulations of peripheral membrane proteins

M Moqadam, T Tubiana, EE Moutoussamy… - … in Physics: X, 2021 - Taylor & Francis
Peripheral membrane proteins (PMPs) bind temporarily to the surface of biological
membranes. They also exist in a soluble form and their tertiary structure is often known. Yet …