The Resource Protein modelling, Gábor Náray-Szabó, editor
Protein modelling, Gábor Náray-Szabó, editor
Resource Information
The item Protein modelling, Gábor Náray-Szabó, editor represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Missouri-St. Louis Libraries.This item is available to borrow from 1 library branch.
Resource Information
The item Protein modelling, Gábor Náray-Szabó, editor represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Missouri-St. Louis Libraries.
This item is available to borrow from 1 library branch.
- 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
- Language
- eng
- Extent
- 1 online resource (viii, 329 pages)
- Note
- Includes index
- 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
- Isbn
- 9783319099767
- Label
- Protein modelling
- Title
- Protein modelling
- Statement of responsibility
- Gábor Náray-Szabó, editor
- 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
- 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
- 9783319099767
- 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
- 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
- 9783319099767
- 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
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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.umsl.edu/portal/Protein-modelling-G%C3%A1bor-N%C3%A1ray-Szab%C3%B3/grSfRWygJgo/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.umsl.edu/portal/Protein-modelling-G%C3%A1bor-N%C3%A1ray-Szab%C3%B3/grSfRWygJgo/">Protein modelling, Gábor Náray-Szabó, editor</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.umsl.edu/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.umsl.edu/">University of Missouri-St. Louis Libraries</a></span></span></span></span></div>
