عنوان

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

Standard Number

87585

Title Proper

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

Place of Publication, Distribution, etc.

Cambridge

Name of Publisher, Distributor, etc.

Royal Society of chemistry

Date of Publication, Distribution, etc.

2014

Specific Material Designation and Extent of Item

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

Series Title

Faraday discussions; v.961

Text of Note

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

Text of Note

Includes bibliographical references

Text of Note

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

Entry Element

Congresses ، Molecular dynamics

Class number

Relator Code

TI

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

SE

Shelving Form of Title, Author, Author/Title

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