Dynamic nuclear polarization for sensitivity enhancement in biomolecular solid-state NMR

T Biedenbänder, V Aladin, S Saeidpour… - Chemical …, 2022 - ACS Publications
Solid-state NMR with magic-angle spinning (MAS) is an important method in structural
biology. While NMR can provide invaluable information about local geometry on an atomic …

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 …

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 …

Boosting the full potential of PyMOL with structural biology plugins

S Rosignoli, A Paiardini - Biomolecules, 2022 - mdpi.com
Over the past few decades, the number of available structural bioinformatics pipelines,
libraries, plugins, web resources and software has increased exponentially and become …

PACKMOL-Memgen: A simple-to-use, generalized workflow for membrane-protein–lipid-bilayer system building

S Schott-Verdugo, H Gohlke - Journal of chemical information and …, 2019 - ACS Publications
We present PACKMOL-Memgen, a simple-to-use, generalized workflow for automated
building of membrane-protein–lipid-bilayer systems based on open-source tools including …

Protein structure prediction: conventional and deep learning perspectives

VA Jisna, PB Jayaraj - The protein journal, 2021 - Springer
Protein structure prediction is a way to bridge the sequence-structure gap, one of the main
challenges in computational biology and chemistry. Predicting any protein's accurate …

[HTML][HTML] Integrative modelling of biomolecular complexes

PI Koukos, A Bonvin - Journal of molecular biology, 2020 - Elsevier
In recent years, the use of integrative, information-driven computational approaches for
modeling the structure of biomolecules has been increasing in popularity. These are now …

Advancing the field of viroporins—Structure, function and pharmacology: IUPHAR Review 39

K Devantier, VMS Kjær, S Griffin… - British Journal of …, 2024 - Wiley Online Library
Viroporins possess important potential as antiviral targets due to their critical roles during
virus life cycles, spanning from virus entry to egress. Although the antiviral amantadine …

The WD40 protein BamB mediates coupling of BAM complexes into assembly precincts in the bacterial outer membrane

SD Gunasinghe, T Shiota, CJ Stubenrauch… - Cell reports, 2018 - cell.com
The β-barrel assembly machinery (BAM) complex is essential for localization of surface
proteins on bacterial cells, but the mechanism by which it functions is unclear. We …

Review on Synthesis and Characterization of Advanced Nanomaterials-based Mixed Matrix Membranes (MMMs) for CO2 Capture: Progress, Challenges, and …

SA Ali, WU Mulk, AU Khan, HS Bhatti, M Hadeed… - Energy & …, 2024 - ACS Publications
The rise in carbon dioxide (CO2) emissions is a major driver of global warming, and climate
change has intensified the focus on developing effective CO2 capture technologies …