Molecular Simulations and Visualization
Royal Society of Chemistry (Verlag)
978-1-78262-143-0 (ISBN)
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Biology, chemistry and materials science make extensive use of computational methods ranging from applications at the cellular level to detailed atomistic simulations of molecular assemblies, materials or small molecules. Many of these computational methods are nowadays routinely used to complement experimental studies. However, despite maturity of this intrinsically multi-disciplinary field, recent progress in the computational sciences has only slowly found its way into numerical simulations. In particular, the enormous potential of immersive and interactive virtual reality approaches, and advanced visual analysis of simulation data, have not been well explored so far. This title aims to illustrate and discuss the potential of human computer interaction and virtual reality for computational molecular sciences for researchers involved in the natural sciences and computational sciences whilst exploring beyond the boundaries of each discipline.
Faraday Discussions documents a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned. The latest (2012) impact factor of Faraday Discussions is 3.82.
Molecular simulations and visualization
3D molecular models of whole HIV-1 virions generated with cellPACK
Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly
A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors
Studying chemical reactivity in a virtual environment
ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations
Virtual and augmented reality immersive molecular simulations: general discussion
Visual analysis for space–time aggregation of biomolecular simulations
Visualising intrinsic disorder and conformational variation in protein ensembles
RiboVision suite for visualization and analysis of ribosomes
NRasslows the rate at which a model lipid bilayer phase separates
Density based visualization for molecular simulation
Advanced visualization and visual analytics: general discussion
GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting
Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and space
Allosteric pathway identification through network analysis: from molecular dynamics simulations to interactive 2D and 3D graphs
Haptic-driven, interactive drug design: implementing a GPU-based approach to evaluate the induced fit effect
Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide
A real-time proximity querying algorithm for haptic-based molecular docking
Computing power revolution and new algorithms: GP-GPUs, clouds and more: general discussion
Immune Attack players perform better on a test of cellular immunology and self confidence than their classmates who play a control video game
Udock, the interactive docking entertainment system
Exploring genomes with a game engine
Methodologies for the analysis of instantaneous lipid diffusion in md simulations of large membrane systems
Rapid decomposition and visualisation of protein–ligand binding free energies by residue and by water
Applications and serious games: from docking to protein folding: general discussion
Impressions by a dinosaur– summary of Faraday discussion 169: molecular simulations and visualization
| Erscheint lt. Verlag | 14.11.2014 |
|---|---|
| Reihe/Serie | Faraday Discussions ; Volume 169 |
| Mitarbeit |
Sonstige Mitarbeit: Royal Society of Chemistry |
| Verlagsort | Cambridge |
| Sprache | englisch |
| Maße | 156 x 234 mm |
| Gewicht | 1214 g |
| Themenwelt | Mathematik / Informatik ► Informatik ► Theorie / Studium |
| Mathematik / Informatik ► Mathematik ► Angewandte Mathematik | |
| Naturwissenschaften ► Chemie ► Physikalische Chemie | |
| Naturwissenschaften ► Physik / Astronomie ► Astronomie / Astrophysik | |
| ISBN-10 | 1-78262-143-1 / 1782621431 |
| ISBN-13 | 978-1-78262-143-0 / 9781782621430 |
| Zustand | Neuware |
| Informationen gemäß Produktsicherheitsverordnung (GPSR) | |
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