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Guide to Biomolecular Simulations

Previously published in hardcover
BuchKartoniert, Paperback
203 Seiten
Englisch
Springer Netherlandserschienen am23.08.2016Softcover reprint of the original 1st ed. 2006
Molecular dynamics simulations have become instrumental in replacing our view of proteins as relatively rigid structures with the realization that they were dynamic systems, whose internal motions play a functional role.mehr

Produkt

KlappentextMolecular dynamics simulations have become instrumental in replacing our view of proteins as relatively rigid structures with the realization that they were dynamic systems, whose internal motions play a functional role.
Details
ISBN/GTIN978-94-017-7635-6
ProduktartBuch
EinbandartKartoniert, Paperback
Erscheinungsjahr2016
Erscheinungsdatum23.08.2016
AuflageSoftcover reprint of the original 1st ed. 2006
ReiheFocus on Structural Biology
Seiten203 Seiten
SpracheEnglisch
Gewicht361 g
IllustrationenIX, 203 p.
Artikel-Nr.38781543

Inhalt/Kritik

Inhaltsverzeichnis
Introduction: Note to the Student.- Introduction: Note to the Instructor.- Introduction: UNIX.- Introduction: CHARMM Primer.- Introduction: CHARMM Template Files.- Molecular Visualization.- Energy and Minimization.- Minimization and Analysis.- Conformational Analysis.- Basic Molecular Dynamics in Vacuum and in Solution.- Molecular Dynamics and Analysis.- Ligand Dynamics in Myoglobin.- Normal Mode Analysis.- Free Energy Calculations.- Minimum Energy Paths and Transition States.- Multiple Copy Simultaneous Search.- Hemoglobin Cooperativity: the T-R Transition.mehr
Kritik
From the reviews:



"The Guide to Biomolecular Simulations intends to provide students and nonexperts with an introductory, self-contained course about the application of molecular dynamics and related methodologies. The book emerged from a biophysics course held at Harvard in the 1990s and is therefore suited for standalone self-study as well as for classroom use ... . And finally, a reader who successfully worked through the book obtained significant experience in using CHARMM, one of the most widely used molecular dynamics packages in biomolecular simulations." (Anselm H. C. Horn, Journal of Chemical Information and Modeling, Vol. 46 (6), 2006)mehr