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The Resource Biomolecular simulations : methods and protocols, edited by Luca Monticelli, Emppu Salonen, (electronic resource)

Biomolecular simulations : methods and protocols, edited by Luca Monticelli, Emppu Salonen, (electronic resource)

Label
Biomolecular simulations : methods and protocols
Title
Biomolecular simulations
Title remainder
methods and protocols
Statement of responsibility
edited by Luca Monticelli, Emppu Salonen
Contributor
Subject
Language
eng
Member of
Cataloging source
BTCTA
LC call number
QP517.M65
LC item number
B55 2013
http://library.link/vocab/relatedWorkOrContributorName
  • Monticelli, Luca
  • Salonen, Emppu
Series statement
Methods in molecular biology
Series volume
924
http://library.link/vocab/subjectName
  • Molecular dynamics
  • Biomolecules
  • Molecular biology
  • Molecular biology
  • Molecular Dynamics Simulation
  • Models, Molecular
  • Computer Simulation
Label
Biomolecular simulations : methods and protocols, edited by Luca Monticelli, Emppu Salonen, (electronic resource)
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Contents
  • QM and QM/MM simulations of proteins
  • Thomas Steinbrecher and Marcus Elstner
  • Classical molecular dynamics in a nutshell
  • Susanna Hug
  • Enhanced sampling algorithms
  • Ayori Mitsutake, Yoshiharu Mori, and Yuko Okamoto
  • Force fields for classical molecular dynamics
  • Luca Monticelli and D. Peter Tieleman
  • Polarizable force fields
  • Hanne S. Antila and Emppu Salonen
  • Ab Initio, density functional theory, and semi-empirical calculations
  • Electrostatics interactions in classical simulations
  • G. Andres Cisneros, Volodymyr Babin, and Celeste Sagui
  • Introduction to best practices in free energy calculations
  • Michael R. Shirts and David L. Mobley
  • Recipes for free energy calculations in biomolecular systems
  • Mahmoud Moradi ... [et al.]
  • Molecular docking methodologies
  • Andrea Bortolato ... [et al.]
  • Simulation studies of the mechanism of membrane transporters
  • Giray Enkavi ... [et al.]
  • Mikael P. Johansson, Ville R.I. Kaila, and Dage Sundholm
  • Molecular dynamics simulations of lipid bilayers : simple recipe of how to do it
  • Hector Martinez-Seara and Tomasz Rog
  • Simulations of lipid monolayers
  • Svetlana Baoukina and D. Peter Tieleman
  • Simulating DNA by molecular dynamics : aims, methods, and validation
  • Nicolas Foloppe, Marc Gueroult, and Brigitte Hartmann
  • Simulation of carbohydrates, from molecular docking to dynamics in water
  • Nicolas Sapay, Alessandra Nurisso, and Anne Imberty
  • Systematic methods for structurally consistent coarse-grained models
  • W.G. Noid
  • Ab Initio molecular dynamics
  • Martini coarse-grained force field
  • Xavier Periole and Siewert-Jan Marrink
  • Multiscale molecular modeling
  • Matej Praprotnik and Luigi Delle Site
  • Coarse-grained models for protein folding and aggregation
  • Philippe Derreumaux
  • Elastic network models : theoretical and empirical foundations
  • Yves-Henri Sanejouand
  • Introduction to dissipative particle dynamics
  • Zhong-Yuan Lu and Yong-Lei Wang
  • Kari Laasonen
  • Multiscale molecular dynamics simulations of membrane proteins
  • Syma Khalid and Peter J. Bond
  • Vesicles and vesicle fusion : coarse-grained simulations
  • Julian C. Shillcock
  • Introduction to QM/MM simulations
  • Gerrit Groenhof
  • Computational enzymology
  • Alessio Lodola and Adrian J. Mulholland
Control code
OCM1bookssj0000809629
Dimensions
26 cm.
Dimensions
unknown
Extent
xiii, 702 pages
Isbn
9781627030168
Isbn Type
(hbk. : alk. paper)
Lccn
2012946729
Other physical details
illustrations (some color)
Specific material designation
remote
System control number
(WaSeSS)ssj0000809629
Label
Biomolecular simulations : methods and protocols, edited by Luca Monticelli, Emppu Salonen, (electronic resource)
Publication
Bibliography note
Includes bibliographical references and index
Contents
  • QM and QM/MM simulations of proteins
  • Thomas Steinbrecher and Marcus Elstner
  • Classical molecular dynamics in a nutshell
  • Susanna Hug
  • Enhanced sampling algorithms
  • Ayori Mitsutake, Yoshiharu Mori, and Yuko Okamoto
  • Force fields for classical molecular dynamics
  • Luca Monticelli and D. Peter Tieleman
  • Polarizable force fields
  • Hanne S. Antila and Emppu Salonen
  • Ab Initio, density functional theory, and semi-empirical calculations
  • Electrostatics interactions in classical simulations
  • G. Andres Cisneros, Volodymyr Babin, and Celeste Sagui
  • Introduction to best practices in free energy calculations
  • Michael R. Shirts and David L. Mobley
  • Recipes for free energy calculations in biomolecular systems
  • Mahmoud Moradi ... [et al.]
  • Molecular docking methodologies
  • Andrea Bortolato ... [et al.]
  • Simulation studies of the mechanism of membrane transporters
  • Giray Enkavi ... [et al.]
  • Mikael P. Johansson, Ville R.I. Kaila, and Dage Sundholm
  • Molecular dynamics simulations of lipid bilayers : simple recipe of how to do it
  • Hector Martinez-Seara and Tomasz Rog
  • Simulations of lipid monolayers
  • Svetlana Baoukina and D. Peter Tieleman
  • Simulating DNA by molecular dynamics : aims, methods, and validation
  • Nicolas Foloppe, Marc Gueroult, and Brigitte Hartmann
  • Simulation of carbohydrates, from molecular docking to dynamics in water
  • Nicolas Sapay, Alessandra Nurisso, and Anne Imberty
  • Systematic methods for structurally consistent coarse-grained models
  • W.G. Noid
  • Ab Initio molecular dynamics
  • Martini coarse-grained force field
  • Xavier Periole and Siewert-Jan Marrink
  • Multiscale molecular modeling
  • Matej Praprotnik and Luigi Delle Site
  • Coarse-grained models for protein folding and aggregation
  • Philippe Derreumaux
  • Elastic network models : theoretical and empirical foundations
  • Yves-Henri Sanejouand
  • Introduction to dissipative particle dynamics
  • Zhong-Yuan Lu and Yong-Lei Wang
  • Kari Laasonen
  • Multiscale molecular dynamics simulations of membrane proteins
  • Syma Khalid and Peter J. Bond
  • Vesicles and vesicle fusion : coarse-grained simulations
  • Julian C. Shillcock
  • Introduction to QM/MM simulations
  • Gerrit Groenhof
  • Computational enzymology
  • Alessio Lodola and Adrian J. Mulholland
Control code
OCM1bookssj0000809629
Dimensions
26 cm.
Dimensions
unknown
Extent
xiii, 702 pages
Isbn
9781627030168
Isbn Type
(hbk. : alk. paper)
Lccn
2012946729
Other physical details
illustrations (some color)
Specific material designation
remote
System control number
(WaSeSS)ssj0000809629

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