Results 31 to 40 of about 1,442,239 (292)
Conformational dynamics of the human serotonin transporter during substrate and drug binding
Nature Communications, 2019 The serotonin transporter (SERT) is responsible for re-uptake of serotonin into the presynaptic neuron and plays a key role in synaptic transmission. Here, the authors use hydrogen-deuterium exchange mass spectrometry to probe the conformational dynamics
Ingvar R. Möller +6 more
doaj +1 more source
Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics [PDF]
, 2013 We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of ...
Gront, Dominik +4 more
core +3 more sources
Predicting protein dynamics from structural ensembles
, 2015 The biological properties of proteins are uniquely determined by their structure and dynamics. A protein in solution populates a structural ensemble of metastable configurations around the global fold.
Copperman, J., Guenza, M. G.
core +1 more source
Prediction of Functional Sites in SCOP Domains using Dynamics Perturbation Analysis [PDF]
, 2008 Dynamics perturbation analysis (DPA) finds regions in a protein structure where proteins are "ticklish", i.e., where interactions cause a large change in protein dynamics.
Dengming Ming +2 more
core +2 more sources
Emergence of behaviour in a self-organized living matter network
eLife, 2022 What is the origin of behaviour? Although typically associated with a nervous system, simple organisms also show complex behaviours. Among them, the slime mold Physarum polycephalum, a giant single cell, is ideally suited to study emergence of behaviour.
Philipp Fleig +3 more
doaj +1 more source
Logarithmic decay in single-particle relaxations of hydrated lysozyme powder
, 2009 We present the self-dynamics of protein amino acids of hydrated lysozyme powder around the physiological temperature by means of molecular dynamics (MD) simulations.
Baglioni, Piero +2 more
core +1 more source
Molecular dynamics as an approach to study prion protein misfolding and the effect of pathogenic mutations [PDF]
, 2011 Computer simulation of protein dynamics offers unique high-resolution information that complements experiment. Using experimentally derived structures of the natively folded prion protein (PrP), physically realistic dynamics and conformational changes ...
Daggett, Valerie, van der Kamp, Marc W
core +2 more sources
Nature Communications, 2019 The formation of cilia depends on centriole’s distal appendages. Here, the authors use correlative 3D-superresolution, electron microscopy and electron tomography to detail the architecture of distal appendages, to describe the initial stages of ...
Mathew Bowler +9 more
doaj +1 more source
Nature Communications, 2022 Iron is an essential mineral in plant physiology. YS1 transporter imports iron–phytosiderophore complex (Fe(III)–DMA) from the soil. Here, the authors describe the cryo-EM structures of barley YS1 in complex with substrate, and a synthetic substrate ...
Atsushi Yamagata +5 more
doaj +1 more source
Nature CommunicationsWe describe a modified version of AlphaFold2 that incorporates experimental distance distributions into the network architecture for protein structure prediction.
Tianqi Wu +4 more
doaj +1 more source