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 …

Phospholipids and cholesterol: Inducers of cancer multidrug resistance and therapeutic targets

J Kopecka, P Trouillas, AČ Gašparović, E Gazzano… - Drug resistance …, 2020 - Elsevier
Lipids, phospholipids and cholesterol in particular, are the predominant components of the
plasma membrane, wherein multidrug efflux transporters of the ATP-binding cassette (ABC) …

Folding and misfolding of human membrane proteins in health and disease: from single molecules to cellular proteostasis

JT Marinko, H Huang, WD Penn, JA Capra… - Chemical …, 2019 - ACS Publications
Advances over the past 25 years have revealed much about how the structural properties of
membranes and associated proteins are linked to the thermodynamics and kinetics of …

[HTML][HTML] Historical review of computer simulation of radiation effects in materials

K Nordlund - Journal of Nuclear Materials, 2019 - Elsevier
In this Article, I review the development of computer simulation techniques for studying
radiation effects in materials from 1946 until 2018. These developments were often closely …

[HTML][HTML] Biosurfactants and surfactants interacting with membranes and proteins: same but different?

DE Otzen - Biochimica et Biophysica Acta (BBA)-Biomembranes, 2017 - Elsevier
Biosurfactants (BS) are surface-active molecules produced by microorganisms. For several
decades they have attracted interest as promising alternatives to current petroleum-based …

Hopanoid lipids: from membranes to plant–bacteria interactions

BJ Belin, N Busset, E Giraud, A Molinaro… - Nature Reviews …, 2018 - nature.com
Lipid research represents a frontier for microbiology, as showcased by hopanoid lipids.
Hopanoids, which resemble sterols and are found in the membranes of diverse bacteria …

Differential scanning calorimetry: An invaluable tool for a detailed thermodynamic characterization of macromolecules and their interactions

MH Chiu, EJ Prenner - Journal of Pharmacy and Bioallied …, 2011 - journals.lww.com
Abstract Differential Scanning Calorimetry (DSC) is a highly sensitive technique to study the
thermotropic properties of many different biological macromolecules and extracts. Since its …

The amphiphilic nature of saponins and their effects on artificial and biological membranes and potential consequences for red blood and cancer cells

JH Lorent, J Quetin-Leclercq… - Organic & biomolecular …, 2014 - pubs.rsc.org
Saponins, amphiphiles of natural origin with numerous biological activities, are widely used
in the cosmetic and pharmaceutical industry. Some saponins exhibit relatively selective …

Quantitative comparison against experiments reveals imperfections in force fields' descriptions of popc–cholesterol interactions

M Javanainen, P Heftberger, JJ Madsen… - Journal of Chemical …, 2023 - ACS Publications
Cholesterol is a central building block in biomembranes, where it induces orientational
order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular …

[HTML][HTML] Membrane-attached mammalian cytochromes P450: An overview of the membrane's effects on structure, drug binding, and interactions with redox partners

M Šrejber, V Navrátilová, M Paloncýová… - Journal of inorganic …, 2018 - Elsevier
Mammalian cytochromes P450 are an important class of enzymes involved in the
biotransformation of many endo-and exogenous compounds. Cytochrome P450 isoforms …