Results 91 to 100 of about 153,337 (263)

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

open access: yesFEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei   +3 more
wiley   +1 more source

Chameleon sequences reveal structural effects in proteins representing micelle‐like distribution of hydrophobicity

open access: yesFEBS Open Bio, EarlyView.
Amino acids sequence of two different proteins with the same sequence (chameleon sequence—black boxes) represent in 3D structure of the proteins different secondary structures: HHHH—helical and BBB—Beta‐structural. The chains folded in water environment adopt different III‐order structures in which the chameleon fragments appear to adopt similar status
Irena Roterman   +4 more
wiley   +1 more source

Local particle refinement in terramechanical simulations

open access: yesJournal of Terramechanics
The discrete element method (DEM) is a powerful tool for simulating granular soils, but its high computational demand often results in extended simulation times. While the effect of particle size has been extensively studied, the potential benefits of spatially scaling particle sizes are less explored.
Markus Pogulis, Martin Servin
openaire   +3 more sources

Local refinement of ERBS curves [PDF]

open access: yesAIP Conference Proceedings, 2013
Expo-rational B-splines (ERBS) provide a blending type construction where local functions at each knot are blended together by infinitely smooth basis functions. In this work we consider some specific ERBS curves that are approximations of parametric curves.
openaire   +2 more sources

Analysing the significance of small conformational changes and low occupancy states in serial crystallographic data

open access: yesFEBS Open Bio, EarlyView.
This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill   +4 more
wiley   +1 more source

Evolutionarily divergent DUF4465 domains have a common vitamin B12‐binding function

open access: yesFEBS Open Bio, EarlyView.
We show that DUF4465 family proteins, widespread across bacteria from gut microbiomes, hydrothermal vents, and soil, share a common vitamin B12‐binding function. These augmented β‐jellyroll proteins bind vitamin B12 via extended loops. Our findings establish sequence‐diverse DUF4465 proteins as a widespread class of B12‐binding proteins, highlighting ...
Charlea Clarke   +4 more
wiley   +1 more source

Issues in adaptive mesh refinement implementation

open access: yesElectronic Journal of Differential Equations, 2007
Physical phenomena often involve discontinuities and/or localized high-gradient areas. The numerical simulation of these problems and conventional techniques (Finite Elements, Finite Volumes, Finite Differences, and Spectral Methods) with a uniform grid ...
Noureddine Hannoun, Vasilios Alexiades
doaj  

$\theta $-refinability and local properties [PDF]

open access: yesProceedings of the American Mathematical Society, 1975
Atkins, J. M., Gittings, R. F.
openaire   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

open access: yesFEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young   +7 more
wiley   +1 more source

Acute caffeine treatment protects the developing retina from ischemia‐induced cell death

open access: yesFEBS Open Bio, EarlyView.
Caffeine reduces cell death in the developing retina under ischemia (OGD). This effect does not involve BDNF upregulation or antioxidant pathways (NRF2/VEGF). Neuroprotection occurs mainly through adenosine A2A receptor antagonism, decreasing glutamate release and excitotoxicity, highlighting caffeine's potential as an acute neuroprotective agent in ...
Amanda Alves Nascimento   +6 more
wiley   +1 more source

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