Coverart for item
The Resource Protein modelling, Gábor Náray-Szabó, editor

Protein modelling, Gábor Náray-Szabó, editor

Label
Protein modelling
Title
Protein modelling
Statement of responsibility
Gábor Náray-Szabó, editor
Contributor
Editor
Subject
Language
eng
Summary
In this volume, a detailed description of cutting-edge computational methods applied to protein modelling as well as specific applications are presented. Chapters include: quantum mechanical calculations on small protein models, the application of Car-Parrinello simulations to enzyme mechanisms, recent development of QM/MM methods, polarizable force fields, protein electrostatics, coarse-grained models, structure prediction of transmembrane proteins, molecular dynamics related to NMR spectroscopy, ligand docking, finite element methods for proteins as well as absorption-distribution-metabolism-excretion-toxicity prediction based on protein structures. An emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph. D. students, who need an insight into up-to-date protein modelling. A large number of descriptive, colour figures will allow the reader to get a pictorial representation of complicated structural issues
Cataloging source
N$T
Dewey number
547/.7011
Illustrations
illustrations
Index
index present
LC call number
QD431
LC item number
.P76 2014
Literary form
non fiction
Nature of contents
dictionaries
NLM call number
QU 55
http://library.link/vocab/relatedWorkOrContributorName
Náray-Szabó, Gábor
http://library.link/vocab/subjectName
  • Proteins
  • Quantum biochemistry
  • Proteins
  • Models, Chemical
  • Models, Molecular
  • SCIENCE
  • Proteins
  • Quantum biochemistry
Label
Protein modelling, Gábor Náray-Szabó, editor
Instantiates
Publication
Note
Includes index
Antecedent source
unknown
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 -- Quantum chemical calculations for small protein models -- Car-Parrinello simulations of chemical reactions in proteins -- Strictly localised molecular orbitals in QM/MM methods -- Polarizable force fields for proteins -- Protein electrostatics -- Molecular mechanics/coarse-grained models -- Modelling the Dynamic Architecture of Biomaterials using Continuum Mechanics -- Structure prediction of transmembrane proteins -- Dynamics of small, folded proteins -- Protein Ligand Docking in Drug Discovery -- ADMET prediction based on protein structures -- Index
Control code
895661062
Dimensions
unknown
Extent
1 online resource (viii, 329 pages)
File format
unknown
Form of item
online
Isbn
9783319099750
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-3-319-09976-7
Other physical details
illustrations (some color)
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
System control number
(OCoLC)895661062
Label
Protein modelling, Gábor Náray-Szabó, editor
Publication
Note
Includes index
Antecedent source
unknown
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 -- Quantum chemical calculations for small protein models -- Car-Parrinello simulations of chemical reactions in proteins -- Strictly localised molecular orbitals in QM/MM methods -- Polarizable force fields for proteins -- Protein electrostatics -- Molecular mechanics/coarse-grained models -- Modelling the Dynamic Architecture of Biomaterials using Continuum Mechanics -- Structure prediction of transmembrane proteins -- Dynamics of small, folded proteins -- Protein Ligand Docking in Drug Discovery -- ADMET prediction based on protein structures -- Index
Control code
895661062
Dimensions
unknown
Extent
1 online resource (viii, 329 pages)
File format
unknown
Form of item
online
Isbn
9783319099750
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-3-319-09976-7
Other physical details
illustrations (some color)
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
System control number
(OCoLC)895661062

Library Locations

    • Thomas Jefferson LibraryBorrow it
      1 University Blvd, St. Louis, MO, 63121, US
      38.710138 -90.311107
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