Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Emerging diversity in lipid–protein interactions

V Corradi, BI Sejdiu, H Mesa-Galloso… - Chemical …, 2019 - ACS Publications
Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …

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 …

Membrane lipid nanodomains

M Cebecauer, M Amaro, P Jurkiewicz… - Chemical …, 2018 - ACS Publications
Lipid membranes can spontaneously organize their components into domains of different
sizes and properties. The organization of membrane lipids into nanodomains might …

Recent advances in coarse-grained models for biomolecules and their applications

N Singh, W Li - International journal of molecular sciences, 2019 - mdpi.com
Molecular dynamics simulations have emerged as a powerful tool to study biological
systems at varied length and timescales. The conventional all-atom molecular dynamics …

Immature HIV-1 lattice assembly dynamics are regulated by scaffolding from nucleic acid and the plasma membrane

AJ Pak, JMA Grime, P Sengupta… - Proceedings of the …, 2017 - National Acad Sciences
The packaging and budding of Gag polyprotein and viral RNA is a critical step in the HIV-1
life cycle. High-resolution structures of the Gag polyprotein have revealed that the capsid …

HIV-1 Gag specifically restricts PI (4, 5) P2 and cholesterol mobility in living cells creating a nanodomain platform for virus assembly

C Favard, J Chojnacki, P Merida, N Yandrapalli… - Science …, 2019 - science.org
HIV-1 Gag protein assembles at the plasma membrane of infected cells for viral particle
formation. Gag targets lipids, mainly PI (4, 5) P2, at the inner leaflet of this membrane. Here …

Structural and molecular determinants of membrane binding by the HIV-1 matrix protein

PY Mercredi, N Bucca, B Loeliger, CR Gaines… - Journal of molecular …, 2016 - Elsevier
Assembly of HIV-1 particles is initiated by the trafficking of viral Gag polyproteins from the
cytoplasm to the plasma membrane, where they co-localize and bud to form immature …

Quantification of phosphoinositides reveals strong enrichment of PIP2 in HIV-1 compared to producer cell membranes

F Mücksch, M Citir, C Lüchtenborg, B Glass… - Scientific reports, 2019 - nature.com
Human immunodeficiency virus type 1 (HIV-1) acquires its lipid envelope during budding
from the plasma membrane of the host cell. Various studies indicated that HIV-1 membranes …

[HTML][HTML] Role of charged lipids in membrane structures—Insight given by simulations

S Pöyry, I Vattulainen - Biochimica et Biophysica Acta (BBA)-Biomembranes, 2016 - Elsevier
Lipids and proteins are the main components of cell membranes. It is becoming increasingly
clear that lipids, in addition to providing an environment for proteins to work in, are in many …