New algorithms for macromolecular simulation / Benedict Leimkuhler ... [y siete más]Material type: TextLanguage: 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
|Item type||Current library||Call number||Copy number||Status||Date due||Barcode||Item holds|
|Libro académico||Biblioteca del Campus||547.70113 N53211 2006 (Browse shelf (Opens below))||Ej. 1||Available||002361|
|Libro académico||Biblioteca del Campus||547.70113 N53211 2006 (Browse shelf (Opens below))||Ej. 2||Available||002362|
|Libro académico||Biblioteca del Campus||547.70113 N53211 2006 (Browse shelf (Opens below))||Ej. 3||Available||002363|
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.