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The Resource A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book)

A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book)

Label
A guide to biomolecular simulations
Title
A guide to biomolecular simulations
Statement of responsibility
by Oren M. Becker and Martin Karplus
Creator
Contributor
Subject
Language
eng
Summary
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. Over the years, such simulations have become a central part of biophysics. Applications of molecular dynamics in biophysics range over many areas. They are used in the structure determination of macromolecules with x-ray and NMR data, the modelling of unknown structures from their sequence, the study of enzyme mechanisms, the estimation of ligand-binding free energies, the evaluation of the role of conformational change in protein function, and drug design for targets of known structures. The widespread application of molecular dynamics and related methodologies suggests that it would be useful to have available an introductory self-contained course by which students with a relatively limited background in chemistry, biology and computer literacy, can learn the fundamentals of the field. This Guide to Biomolecular Simulations tries to fill this need. The Guide consists of six chapters which provide the fundamentals of the field and six chapters which introduce the reader to more specialized but important applications of the methodology
Member of
Action
digitized
Cataloging source
GW5XE
http://library.link/vocab/creatorName
Becker, Oren M
Dewey number
660.65
Illustrations
illustrations
Index
no index present
LC call number
QP517.M65
LC item number
B43 2006eb
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorDate
1930-
http://library.link/vocab/relatedWorkOrContributorName
Karplus, Martin
http://library.link/vocab/subjectName
  • Molecular dynamics
  • Biomolecules
  • Molecular biology
  • Molecular biology
Label
A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book)
Instantiates
Publication
Note
Textbook
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
SPR262687515
Dimensions
unknown
Extent
1 online resource (ix, 220 p.)
Form of item
online
Isbn
9781402035869
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
9786611336011
Other physical details
ill.
Reproduction note
Electronic reproduction.
Specific material designation
remote
System details
Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002.
Label
A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book)
Publication
Note
Textbook
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
SPR262687515
Dimensions
unknown
Extent
1 online resource (ix, 220 p.)
Form of item
online
Isbn
9781402035869
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
9786611336011
Other physical details
ill.
Reproduction note
Electronic reproduction.
Specific material designation
remote
System details
Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002.

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