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: TextTextLanguage: English Series: Lecture notes in computational science and engineering ; 49Copyright date: Berlin ; New York : Springer, c2006Edition: First editionDescription: xvi, 362 pages : illustrations ; 24 cmISBN: 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.
Tags from this library: No tags from this library for this title. Log in to add tags.
    Average rating: 0.0 (0 votes)
Item type Current library Call number Copy number Status Date due Barcode Item holds
Libro académico Libro académico Biblioteca del Campus
547.70113 N53211 2006 (Browse shelf (Opens below)) Ej. 1 Available 002361
Libro académico Libro académico Biblioteca del Campus
547.70113 N53211 2006 (Browse shelf (Opens below)) Ej. 2 Available 002362
Libro académico Libro académico Biblioteca del Campus
547.70113 N53211 2006 (Browse shelf (Opens below)) Ej. 3 Available 002363
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.

There are no comments on this title.

to post a comment.