Universal QM/MM approaches for general nanoscale applications

KS Csizi, M Reiher - Wiley Interdisciplinary Reviews …, 2023 - Wiley Online Library
Quantum mechanics/molecular mechanics (QM/MM) hybrid models allow one to address
chemical phenomena in complex molecular environments. Whereas this modeling approach …

VDAC regulation of mitochondrial calcium flux: From channel biophysics to disease

WM Rosencrans, M Rajendran, SM Bezrukov… - Cell calcium, 2021 - Elsevier
Voltage-dependent anion channel (VDAC), the most abundant mitochondrial outer
membrane protein, is important for a variety of mitochondrial functions including metabolite …

Labeling preferences of diazirines with protein biomolecules

AV West, G Muncipinto, HY Wu, AC Huang… - Journal of the …, 2021 - ACS Publications
Diazirines are widely used in photoaffinity labeling (PAL) to trap noncovalent interactions
with biomolecules. However, design and interpretation of PAL experiments is challenging …

Ceramides bind VDAC2 to trigger mitochondrial apoptosis

S Dadsena, S Bockelmann, JGM Mina… - Nature …, 2019 - nature.com
Ceramides draw wide attention as tumor suppressor lipids that act directly on mitochondria
to trigger apoptotic cell death. However, molecular details of the underlying mechanism are …

VDAC1 and the TSPO: expression, interactions, and associated functions in health and disease states

V Shoshan-Barmatz, S Pittala, D Mizrachi - International journal of …, 2019 - mdpi.com
The translocator protein (TSPO), located at the outer mitochondrial membrane (OMM),
serves multiple functions and contributes to numerous processes, including cholesterol …

The role of voltage-dependent anion channel in mitochondrial dysfunction and human disease

JT Varughese, SK Buchanan, AS Pitt - Cells, 2021 - mdpi.com
The voltage-dependent anion channel (VDAC) is a β-barrel membrane protein located in the
outer mitochondrial membrane (OMM). VDAC has two conductance states: an open anion …

Assembly and regulation of the chlorhexidine-specific efflux pump AceI

JR Bolla, AC Howes, F Fiorentino… - Proceedings of the …, 2020 - National Acad Sciences
Few antibiotics are effective against Acinetobacter baumannii, one of the most successful
pathogens responsible for hospital-acquired infections. Resistance to chlorhexidine, an …

Chemoselective Caging of Carboxyl Groups for On‐Demand Protein Activation with Small Molecules

YD Petri, CS Gutierrez… - Angewandte Chemie …, 2023 - Wiley Online Library
Tools for on‐demand protein activation enable impactful gain‐of‐function studies in
biological settings. Thus far, however, proteins have been chemically caged at primarily Lys …

Phospholipids are imported into mitochondria by VDAC, a dimeric beta barrel scramblase

H Jahn, L Bartoš, GI Dearden, JS Dittman… - Nature …, 2023 - nature.com
Mitochondria are double-membrane-bounded organelles that depend critically on
phospholipids supplied by the endoplasmic reticulum. These lipids must cross the outer …

A lower affinity to cytosolic proteins reveals VDAC3 isoform-specific role in mitochondrial biology

M Queralt-Martín, L Bergdoll, O Teijido… - Journal of General …, 2020 - rupress.org
Voltage-dependent anion channel (VDAC) is the major pathway for the transport of ions and
metabolites across the mitochondrial outer membrane. Among the three known mammalian …