عنوان

Molecular simulations and visualization: University of Nottingham, Nottingham UK, 7-9 May 2014

شماره استاندارد

87585

عنوان اصلي

Molecular simulations and visualization: University of Nottingham, Nottingham UK, 7-9 May 2014

محل نشرو پخش و غیره

Cambridge

نام ناشر، پخش کننده و غيره

Royal Society of chemistry

تاریخ نشرو بخش و غیره

2014

نام خاص و کميت اثر

535 p.: )color( ill. ; 25 cm

عنوان فروست

Faraday discussions; v.961

متن يادداشت

"A general discussion on molecular simulations and visualization was held in Nottingham, UK on the 7th, 8th, and 9th May 2014"--Page 5

متن يادداشت

Includes bibliographical references

متن يادداشت

Molecular simulations and visualization : introduction and overview / Jonathan D. Hirst, David R. Glowacki and Marc Baaden -- 3D molecular models of whole HIV-1 virions generated with cellPACK / Graham T. Johnson, David S. Goodsell, Ludovic Autin, Stefano Forli, Michel F. Sanner and Arthur J. Olson -- Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly / A. -E. Molza )and 8 others( -- A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors / David R. Glowacki )and 9 others( -- Studying chemical reactivity in a virtual environment / Moritz P. Haag and Markus Reiher -- ExaViz : a flexible framework to analyse, steer and interact with molecular dynamics simulations / Matthieu Dreher )and 8 others( -- Virtual and augmented reality immersive molecular simulations : general discussion -- Visual analysis for space-time aggregation of biomolecular simulations / Thomas Ertl )and 5 others( -- Visualising intrinsic disorder and conformational variation in protein ensembles / Julian Heinrich, Michael Krone, Sean I. O'Donoghue and Daniel Weiskopf -- RiboVision suite for visualization and analysis of ribosomes / Chad R. Bernier )and 61 others( -- N Ras slows the rate at which a model lipid bilayer phase separates / Elizabeth Jefferys, Mark S. P. Sansom and Philip W. Fowler -- Density based visualization for molecular simulation / Dmitri Rozmanov, Svetlana Baoukina and D. Peter Tieleman -- Advanced visualization and visual analytics : general discussion -- GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting / John E. Stone, Ryan McGreevy, Barry Isralewitz and Klaus Schulten -- Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and space / Evgen Pavlov )and 5 others( -- Allosteric pathway identification through network analysis : from molecular dynamics simulations to interactive 2D and 3D graphs / Ariane Allain )and 5 others( -- Haptic-driven, interactive drug design : implementing a GPU-based approach to evaluate the induced fit effect / Athanasios Anthopoulos, Gaia Pasqualetto, Ian Grimstead and Andrea Brancale -- Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide / John A. Baker and Jonathan D. Hirst -- A real-time proximity querying algorithm for haptic-based molecular docking / Georgios Iakovou, Steven Hayward and Stephen Laycock -- 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 / Melanie Stegman -- Udock, the interactive docking entertainment system / Guillaume Levieux )and 5 others( -- Exploring genomes with a game engine / Jeremiah J. Shepherd )and 5 others( -- Methodologies for the analysis of instantaneous lipid diffusion in md simulations of large membrane systems / Matthieu Chavent )and 6 others( -- Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water / Christopher J. Woods )and 5 others( -- Applications and serious games : from docking to protein folding: general discussion -- Impressions by a dinosaur : summary of Faraday discussion 961: molecular simulations and visualization / Frederick P. Brooks, Jr

عنصر شناسه ای

Congresses ، Molecular dynamics

شماره رده

کد نقش

TI

عنصر شناسه اي

CO Royal Society of Chemistry )Great Britain(. Faraday Division

عنصر شناسه اي

SE

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