Results 51 to 60 of about 7,568,994 (301)
Molecular dynamics simulations of detonation instability [PDF]
Physical Review E, 2008 7 pages, 6 figures. Submitted to Phys. Rev. E Minor edits.
Heim, Andrew J. +3 more
openaire +3 more sources
Liver organoids: modelling complexity in homeostasis and disease
FEBS Letters, EarlyView.Studying liver in vitro has been challenging because simple 2D cell cultures fail to capture liver's cellular and architectural complexity. To bridge this gap, scientists increasingly use organoids, 3D liver models which better mimic liver composition and function. This review examines recent advances in liver organoid complexity and realism, discusses
Anna M. Dowbaj, Meritxell Huch
wiley +1 more source
Molecular dynamics decomposition of temperature-dependent elastic neutron scattering by a protein solution [PDF]
, 2003 Molecular dynamics simulations are performed of bovine pancreatic trypsin inhibitor in a cryosolution over a range of temperatures from 80 to 300 K and the origins identified of elastic dynamic neutron scattering from the solution. The elastic scattering
Smith, Jeremy C. +7 more
core +1 more source
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
FEBS Letters, EarlyView.How do genomes gain new functional parts? In eukaryotes, which tend to evolve under weak selection, much of the genome is junk. Palazzo and Qiu borrow the logic of Markov chains to show how non‐functional DNA becomes functional through the appearance of intermediate states, which arise due to epistasis, buffering, and biochemical messiness, allowing ...
Alexander F. Palazzo, Yi Qiu
wiley +1 more source
Protocol for Molecular Dynamics Simulations of Proteins
Bio-Protocol, 2016 Molecular dynamics (MD) simulations have become one of the most important tools in understanding the behavior of bio-molecules on nanosecond to microsecond time scales.
MNV Prasad Gajula +2 more
doaj +1 more source
Molecular dynamics simulations of weak detonations [PDF]
Physical Review E, 2011 38 pages, 20 figures.
Am-Shallem, Morag +3 more
openaire +4 more sources
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
GPU-SD and DPD Parallelization for Gromacs tools for molecular dynamics simulations [PDF]
, 2012 This article presents the GPU parallelization of new algorithms SD and DPD types for molecular dynamics systems developed by the Molecular Dynamics Group, University of Groningen, the Netherlands.
Marrink, Siewert, +12 more
core +2 more sources
Monoamine transporters: Insights from molecular dynamics simulations
Frontiers in Pharmacology, 2015 The human monoamine transporters facilitate the reuptake of the neurotransmitters serotonin, dopamine, and norepinephrine from the synaptic cleft. Imbalance in monoaminergic neurotransmission is linked to various diseases including major depression ...
Julie eGrouleff +3 more
doaj +1 more source