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)
Resource Information
The item A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.This item is available to borrow from 1 library branch.
Resource Information
The item A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.
This item is available to borrow from 1 library branch.
- 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
- Language
- eng
- Extent
- 1 online resource (ix, 220 p.)
- Note
- Textbook
- 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
- Isbn
- 9781402035869
- Label
- A guide to biomolecular simulations
- Title
- A guide to biomolecular simulations
- Statement of responsibility
- by Oren M. Becker and Martin Karplus
- 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
- 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)
- 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)
- 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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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/A-guide-to-biomolecular-simulations-by-Oren-M./IRxdlYbc6ac/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/A-guide-to-biomolecular-simulations-by-Oren-M./IRxdlYbc6ac/">A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book)</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/A-guide-to-biomolecular-simulations-by-Oren-M./IRxdlYbc6ac/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/A-guide-to-biomolecular-simulations-by-Oren-M./IRxdlYbc6ac/">A guide to biomolecular simulations, by Oren M. Becker and Martin Karplus, (electronic book)</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
