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New algorithms for macromolecular simulation : Benedict Leimkuhler ... [Y siete más] /

Contributor(s): Leimkuhler, B [editor] | Chipot, Christophe [editor] | Elber, Ron [editor] | Laaksonen, Aatto [editor] | Mark, Alan [editor] | Shlick, Tamar [editor] | Schütte, Christof [editor] | Skeel, Robert [editor].
Material type: materialTypeLabelBookSeries: Lecture notes in computational science and engineering ; 49.Berlin : New York , c2006Edition: First edition.Description: xvi, 362 pages : illustrations ; 24 cm.ISBN: 9783540255420 .Subject(s): Macromolecules -- Computer simulation -- Congresses | Macromoléculas -- Simulación por computadores -- CongresosDDC classification: 547.70113 Online resources: Publisher description
Partial contents:
Membrane Protein Simulations: Modelling a Complex Environment -- The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method -- Implicit Solvent Electrostatics in Biomolecular Simulation.
Abstract: Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.
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Item type Current location Call number Copy number Status Date due Item holds
Libro académico Libro académico Biblioteca del Campus
547.70113 N53211 2006 (Browse shelf) Ej. 1 Available
Libro académico Libro académico Biblioteca del Campus
547.70113 N53211 2006 (Browse shelf) Ej. 2 Available
Libro académico Libro académico Biblioteca del Campus
547.70113 N53211 2006 (Browse shelf) Ej. 3 Available
Total holds: 0

Includes bibliographical references.

Membrane Protein Simulations: Modelling a Complex Environment -- The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method -- Implicit Solvent Electrostatics in Biomolecular Simulation.

Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.

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