Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

Pragmatic coarse-graining of proteins: models and applications

L Borges-Araújo, I Patmanidis, AP Singh… - Journal of Chemical …, 2023 - ACS Publications
The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …

CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and Applications

S Feng, S Park, YK Choi, W Im - Journal of chemical theory and …, 2023 - ACS Publications
Molecular dynamics simulations of membranes and membrane proteins serve as
computational microscopes, revealing coordinated events at the membrane interface. As G …

The structure, self-assembly and dynamics of lipid nanodiscs revealed by computational approaches

B Wang, DP Tieleman - Biophysical Chemistry, 2024 - Elsevier
Nanodisc technology is increasingly being used in structural, biochemical and biophysical
studies of membrane proteins. The computational approaches have revealed many …

[PDF][PDF] Global fitting of multiple data frames from SEC–SAXS to investigate the structure of next-generation nanodiscs

A Barclay, N Tidemand Johansen… - … Section D: Structural …, 2022 - journals.iucr.org
The combination of online size-exclusion chromatography and small-angle X-ray scattering
(SEC–SAXS) is rapidly becoming a key technique for structural investigations of elaborate …

[PDF][PDF] Design and Application of Membrane Nanodiscs for Biophysical Studies of Influenza A Proteins

A Kyaw - 2022 - scholarship.tricolib.brynmawr.edu
Membrane proteins play a range of important roles in biological systems, yet they are
underrepresented in the data base of high-resolution structures of all proteins. There is …

Studium struktury a interakcí proteinů pomocí strukturní hmotnostní spektrometrie

JM Portašiková - 2024 - dspace.cuni.cz
Transmembránové kanály a přenášeče z ClC proteinové rodiny se vyskytují napříč všemi
živými organismy. Nacházejí se na cytoplasmatických a lysosomálních membránách buněk …