New Algorithms for Macromolecular Simulation

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Leimkuhler, Benedict (Επιμελητής έκδοσης), Chipot, Christophe (Επιμελητής έκδοσης), Elber, Ron (Επιμελητής έκδοσης), Laaksonen, Aatto (Επιμελητής έκδοσης), Mark, Alan (Επιμελητής έκδοσης), Schlick, Tamar (Επιμελητής έκδοσης), Schütte, Christoph (Επιμελητής έκδοσης), Skeel, Robert (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg, 2006.
• Σειρά: Lecture Notes in Computational Science and Engineering, 49
• Θέματα: Computer science.; Computer simulation.; Biomathematics.; Physics.; Biomedical engineering.; Computer Science.; Simulation and Modeling.; Mathematical and Computational Biology.; Theoretical, Mathematical and Computational Physics.; Biomedical Engineering.
• Φυσική περιγραφή: XVI, 367 p. 85 illus., 8 illus. in color. online resource.
• ISBN: 9783540316183
• ISSN: 1439-7358 ;

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.