Results 111 to 120 of about 6,867,350 (304)
, 2004 A novel method for the refinement of misfolded protein structures is proposed in which the properties of the solvent environment are oscillated in order to mimic some aspects of the role of molecular chaperones play in protein folding in vivo ...
Mark, A. E. +4 more
core +1 more source
Microbiome‐blood–brain barrier interactions in aging — mechanisms and therapeutic potential
FEBS Letters, EarlyView.Aging reshapes the gut microbiome (↓SCFA‐producing commensals; ↑pro‐inflammatory outputs), shifting circulating metabolites (↓SCFAs; ↑LPS, ↑TMAO, ↑PAA) that act at the BBB to increase nonspecific transcytosis, alter transport, and promote astrocyte reactivity, heightening brain vulnerability.
Daniel Cuervo‐Zanatta +3 more
wiley +1 more source
Exploring SIMD for molecular dynamics, using Intel Xeon processors and Intel Xeon Phi coprocessors [PDF]
, 2013 We analyse gather-scatter performance bottlenecks in molecular dynamics codes and the challenges that they pose for obtaining benefits from SIMD execution. This analysis informs a number of novel code-level and algorithmic improvements to Sandia's miniMD
Jarvis, S. A.; id_orcid +9 more
core +1 more source
An epithelial GPR35 isoform supports tumor‐associated transcriptional and metabolic phenotypes
FEBS Letters, EarlyView.GPR35 generates two functionally distinct isoforms with previously unresolved roles. GPR35‐short mediates immune‐cell chemotaxis, while GPR35‐long is enriched in colorectal cancer epithelium, where it supports increased metabolism, proliferation, and tumor‐associated transcriptional programs.
Jørgen D. Rønneberg +14 more
wiley +1 more source
Do Osmolytes Impact the Structure and Dynamics of Myoglobin?
Molecules, 2018 Osmolytes are small organic compounds that can affect the stability of proteins in living cells. The mechanism of osmolytes’ protective effects on protein structure and dynamics has not been fully explained, but in general, two possibilities have ...
Dorota Kossowska +2 more
doaj +1 more source
Structure‐forward targeting of claudins with synthetic binders
FEBS Letters, EarlyView.Claudins form the paracellular barriers between epithelial and endothelial tissues at tight junctions and are targets for molecular binders with the goal of modulating barrier permeability. Claudin‐binding molecules are relevant in drug delivery or in altering claudin interactions with disease‐causing proteins.
Alex J. Vecchio
wiley +1 more source
Nature Communications, 2018 Electron dynamics in plasmonic nanoparticles are often studied with transient absorption spectroscopy. Here, Lietard et al. apply two-dimensional electronic spectroscopy, a method generally used for molecular spectroscopy, to study ultrafast nonlinear ...
Aude Lietard +3 more
doaj +1 more source
Benchmark of Schemes for Multiscale Molecular Dynamics Simulations [PDF]
, 2015 In multiscale molecular dynamics simulations the accuracy of detailed models is combined with the efficiency of a reduced representation. For several applications - namely those of sampling enhancement - it is desirable to combine fine-grained (FG) and ...
Berendsen, Herman +8 more
core +2 more sources
Discerning protein pools by selective staining with self‐labeling tags
FEBS Letters, EarlyView.Cell surface proteins have an intra‐ and extracellular pool. Combining genetic fusion to self‐labeling tags that can be addressed with small molecule fluorophores allows separating these pools. We highlight recent developments and techniques for state‐of‐the‐art interrogation of cell surface proteins in the complex tissue setting.
Kati Fischermanns, Johannes Broichhagen
wiley +1 more source
Scientific Reports, 2017 Thin waveguides such as graded-index lenses and fiber bundles are often used as imaging probes for high-resolution endomicroscopes. However, strong back-reflection from the end surfaces of the probes makes it difficult for them to resolve weak contrast ...
Changhyeong Yoon +7 more
doaj +1 more source