https://www.nist.gov/publications/conformational-heterogeneity-ucaauc-rna-oligonucleotide-molecular-dynamics-simulations
We describe the conformational ensemble of the single-stranded r(UCAAUC) oligonucleotide obtained using extensive molecular dynamics (MD) simulations.
molecular dynamicsconformationalheterogeneityrnaoligonucleotide
https://www.nist.gov/programs-projects/molecular-dynamics-simulation-heat-transport-gate-all-around-transistors
Thermal efficiency of semiconductor devices is pivotal to their operation and performance, especially now that the dimensions of transistor features are...
molecular dynamics simulationgate all aroundheat transport
https://www.frontiersin.org/research-topics/32388/molecular-architecture-and-dynamics-of-meiotic-chromosomes/magazine
Meiosis is a special type of cell division that allows the generation of haploid gametes and is a key process for sexual reproduction of animals, plants and...
moleculararchitecturedynamicsmeioticchromosomes
https://www.nist.gov/publications/molecular-dynamics-simulations-alkylsilane-stationary-phase-order-and-disorder-2
In an effort to elucidate the molecular-level structural features that control shape-selective separations, we have investigated the molecular dynamics of chrom
order and disordermolecular dynamicsstationary phasesimulations
https://elifesciences.org/articles/46028/figures
Hantavirus spikes are related laterally by 2-fold Gc contacts that can be disulfide-linked and display a temperature-dependent dynamic behavior at neutral pH,...
figuresdatamolecularorganizationdynamics
https://www.ru.nl/en/departments/donders-centre-for-neuroscience/molecular-dynamics-of-the-synapse
Neuronal synapses have two fundamental functions in the brain: (1) information flow through neural circuits that is necessary to produce complex behaviour and...
molecular dynamicsthe synapseradboud university
https://www.rcsb.org/structure/3JA6
Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling
cryo electron tomographyrcsbpdbatommolecular
https://www.graphcore.ai/posts/leveraging-the-ipu-for-molecular-dynamics-simulation
Deep learning provides a new means to analyze the force of atoms. Here, IPU hardware is leveraged for water molecule simulation and the DeePMD-kit is used for...
molecular dynamics simulationleveragingipu
https://molspin.eu/forum
The future of spin dynamics calculations! MolSpin is designed to perform any kind of calculation on spin systems.
molecularspindynamicssoftware