Guide to Biomolecular Simulations

Häftad, Engelska, 2016

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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.

Produktinformation

Utgivningsdatum2016-08-23
Mått155 x 235 x 13 mm
Vikt359 g
FormatHäftad
SpråkEngelska
SerieFocus on Structural Biology
Antal sidor203
FörlagSpringer
ISBN9789401776356

Tillhör följande kategorier

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.

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)