Results 31 to 40 of about 5,585,911 (239)
, 2007 The purpose of this paper is to introduce a flexible and robust multilevel finite element algorithm that can be used to study the behavior of a fully coupled fluid-structure system.
MANSERVISI, SANDRO +2 more
core +2 more sources
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source
Model Formulation of an Urban Canopy Model by Means of Detailed CFD Simulation
ComputationUrban areas significantly influence atmospheric flow fields and momentum exchange processes, which are relevant for wind energy applications and meso-scale atmospheric modeling.
Michael Vögtle +2 more
doaj +1 more source
The Shewanella oneidensis Fic enzyme SoFic targets the switch‐I region of EF‐Tu for AMPylation
FEBS Letters, EarlyView.Fic enzymes mediate diverse post‐translational modifications across all domains of life, including AMPylation. Prokaryotic EF‐Tu can be AMPylated and deAMPylated by the conserved Fic enzyme SoFic. Structural and biochemical approaches were used to characterize the effect of AMPylation on EF‐Tu, SoFic's enzymatic activities, and the enzyme‐target ...
Svenja Runge +6 more
wiley +1 more source
MDSuite: comprehensive post-processing tool for particle simulations
Journal of Cheminformatics, 2023 Particle-Based (PB) simulations, including Molecular Dynamics (MD), provide access to system observables that are not easily available experimentally. However, in most cases, PB data needs to be processed after a simulation to extract these observables ...
Samuel Tovey +5 more
doaj +1 more source
Parallel computational fluid dynamics 2004 : multidisciplinary applications
, 2005 Parallel CFD 2004, the sixteenth international conference on Parallel Computational Fluid Dynamics and other modern scientific domains, has been held since May 24th till May 27th, 2004 in Las Palmas de Gran Canaria, Spain.
Ecer, A. +4 more
core +1 more source
Prospecting the protein design landscape
FEBS Letters, EarlyView.This review outlines the current state of various protein design approaches. We discuss the current possibilities enabled by recently released tools, highlight future avenues to pursue in protein design, and underscore the crucial role of key databases and resources for successful protein design workflows.
Jakob R. Riccabona +4 more
wiley +1 more source
Metastatic niche shaped by host factors influences disseminated cancer cell fate
FEBS Letters, EarlyView.Metastasis is shaped not only by cancer cells but also by the environments they encounter. This review explores how factors such as aging, diet, the microbiome, lifestyle, and environmental exposures remodel organ‐specific niches in the lung, liver, bone, and brain, influencing where metastatic cells survive, remain dormant, or grow, and ultimately ...
Gwennan Delyth Ward +2 more
wiley +1 more source
BioMedical Engineering OnLine, 2019 Background Geometric parameters have been proposed for prediction of cerebral aneurysm rupture risk. Predicting the rupture risk for incidentally detected unruptured aneurysms could help clinicians in their treatment decision.
Leonid Goubergrits +9 more
doaj +1 more source
Molecular Oncology, EarlyView.Drug resistance limits treatment success in a subset of lung cancers driven by ROS1 gene alterations. Using patient‐derived cells and computer simulations, we studied three key mutations and how they affect five targeted drugs. The mutations reduced drug effectiveness in different ways by altering protein structure and behavior.
Farhan Ul Haq +8 more
wiley +1 more source