The Resource Molecular Modeling of Proteins, edited by Andreas Kukol, (electronic resource)

Molecular Modeling of Proteins, edited by Andreas Kukol, (electronic resource)

Label
Molecular Modeling of Proteins
Title
Molecular Modeling of Proteins
Statement of responsibility
edited by Andreas Kukol
Contributor
Editor
Editor
Subject
Language
  • eng
  • eng
Summary
Molecular modeling has undergone a remarkable transformation in the last 20 years, as biomolecular simulation moves from the realm of specialists to the wider academic community. Molecular Modeling of Proteins provides thorough introductions and a compilation of step-by-step methods applicable to problems faced by non-specialists – especially those new to the software packages used in molecular modeling. Tips on troubleshooting and avoiding common pitfalls are included in this book, along with chapters covering a wide range of subjects ranging from free energy calculation to applications for drug design. Written by an internationally distinguished panel of investigators and outlining the most striking developments in the field, Molecular Modeling of Proteins is an invaluable resource for those in the industry, as well as a cutting-edge reference for students and professionals in the fields of chemistry, biochemistry, biology, biophysics and bioinformatics
Member of
Dewey number
572/.633
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsedt
2Rs-H60jOdo
Image bit depth
0
Language note
English
LC call number
QD431-431.7
Literary form
non fiction
http://library.link/vocab/relatedWorkOrContributorName
Kukol, Andreas.
Series statement
Methods in Molecular Biology,
Series volume
443
http://library.link/vocab/subjectName
  • Biochemistry
  • Proteomics
  • Medicine
  • Bioinformatics
  • Protein Science
  • Biochemistry, general
  • Proteomics
  • Molecular Medicine
  • Bioinformatics
Label
Molecular Modeling of Proteins, edited by Andreas Kukol, (electronic resource)
Instantiates
Publication
Note
Bibliographic Level Mode of Issuance: Monograph
Antecedent source
mixed
Carrier category
online resource
Carrier category code
  • cr
Color
not applicable
Content category
text
Content type code
  • txt
Contents
Methodology -- Molecular Dynamics Simulations -- Monte Carlo Simulations -- Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes -- Comparison of Protein Force Fields for Molecular Dynamics Simulations -- Normal Modes and Essential Dynamics -- Free Energy Calculations -- Calculation of Absolute Protein–Ligand Binding Constants with the Molecular Dynamics Free Energy Perturbation Method -- Free Energy Calculations Applied to Membrane Proteins -- Molecular Modeling of Membrane Proteins -- Molecular Dynamics Simulations of Membrane Proteins -- Membrane-Associated Proteins and Peptides -- Implicit Membrane Models for Membrane Protein Simulation -- Protein Structure Determination -- Comparative Modeling of Proteins -- Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints -- Nuclear Magnetic Resonance-Based Modeling and Refinement of Protein Three-Dimensional Structures and Their Complexes -- Conformational Change -- Conformational Changes in Protein Function -- Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations -- Modeling of Protein Misfolding in Disease -- Applications to Drug Design -- Identifying Putative Drug Targets and Potential Drug Leads -- Receptor Flexibility for Large-Scale In Silico Ligand Screens -- Molecular Docking
Dimensions
unknown
Edition
1st ed. 2008.
Extent
1 online resource (XII, 390 p.)
File format
multiple file formats
Form of item
online
Isbn
9781597451772
Level of compression
uncompressed
Media category
computer
Media type code
  • c
Other control number
10.1007/978-1-59745-177-2
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
  • (CKB)1000000000393114
  • (SSID)ssj0000324972
  • (PQKBManifestationID)11251520
  • (PQKBTitleCode)TC0000324972
  • (PQKBWorkID)10321981
  • (PQKB)10492258
  • (DE-He213)978-1-59745-177-2
  • (EXLCZ)991000000000393114
Label
Molecular Modeling of Proteins, edited by Andreas Kukol, (electronic resource)
Publication
Note
Bibliographic Level Mode of Issuance: Monograph
Antecedent source
mixed
Carrier category
online resource
Carrier category code
  • cr
Color
not applicable
Content category
text
Content type code
  • txt
Contents
Methodology -- Molecular Dynamics Simulations -- Monte Carlo Simulations -- Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes -- Comparison of Protein Force Fields for Molecular Dynamics Simulations -- Normal Modes and Essential Dynamics -- Free Energy Calculations -- Calculation of Absolute Protein–Ligand Binding Constants with the Molecular Dynamics Free Energy Perturbation Method -- Free Energy Calculations Applied to Membrane Proteins -- Molecular Modeling of Membrane Proteins -- Molecular Dynamics Simulations of Membrane Proteins -- Membrane-Associated Proteins and Peptides -- Implicit Membrane Models for Membrane Protein Simulation -- Protein Structure Determination -- Comparative Modeling of Proteins -- Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints -- Nuclear Magnetic Resonance-Based Modeling and Refinement of Protein Three-Dimensional Structures and Their Complexes -- Conformational Change -- Conformational Changes in Protein Function -- Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations -- Modeling of Protein Misfolding in Disease -- Applications to Drug Design -- Identifying Putative Drug Targets and Potential Drug Leads -- Receptor Flexibility for Large-Scale In Silico Ligand Screens -- Molecular Docking
Dimensions
unknown
Edition
1st ed. 2008.
Extent
1 online resource (XII, 390 p.)
File format
multiple file formats
Form of item
online
Isbn
9781597451772
Level of compression
uncompressed
Media category
computer
Media type code
  • c
Other control number
10.1007/978-1-59745-177-2
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
  • (CKB)1000000000393114
  • (SSID)ssj0000324972
  • (PQKBManifestationID)11251520
  • (PQKBTitleCode)TC0000324972
  • (PQKBWorkID)10321981
  • (PQKB)10492258
  • (DE-He213)978-1-59745-177-2
  • (EXLCZ)991000000000393114

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