Coverart for item
The Resource Molecular modeling of proteins, Andreas Kukol, [editor]

Molecular modeling of proteins, Andreas Kukol, [editor]

Label
Molecular modeling of proteins
Title
Molecular modeling of proteins
Statement of responsibility
Andreas Kukol, [editor]
Contributor
Subject
Language
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
Cataloging source
VVL
Dewey number
572/.6330285
Illustrations
illustrations
Index
index present
Language note
English
LC call number
QP551
LC item number
.M65 2008
Literary form
non fiction
NAL call number
QP551
NAL item number
.M625 2008
Nature of contents
  • dictionaries
  • bibliography
NLM call number
  • W1
  • QU 55.7
NLM item number
  • ME9616J v.443 2008
  • M7187 2008
http://library.link/vocab/relatedWorkOrContributorName
Kukol, Andreas
Series statement
Methods in molecular biology
Series volume
v. 443
http://library.link/vocab/subjectName
  • Proteins
  • Computer Simulation
  • Models, Molecular
  • Protein Conformation
  • Proteins
  • Proteins
  • Animal Biochemistry
  • Human Anatomy & Physiology
  • Health & Biological Sciences
Label
Molecular modeling of proteins, Andreas Kukol, [editor]
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
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
Molecular dynamics simulations / Erik R. Lindahl -- Monte Carlo simulations / David J. Earl and Michael W. Deem -- Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes / Jiali Gao [and others] -- Comparison of protein force fields for molecular dynamics simulations / Olgun Guvench and Alexander D. MacKerell, Jr. -- Normal modes and essential dynamics / Steven Hayward and Bert L. de Groot -- Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method / Hyung-June Woo -- Free energy calculations applied to membrane proteins / Christophe Chipot -- Molecular dynamics simulations of membrane proteins / Philip C. Biggin and Peter J. Bond -- Membrane-associated proteins and peptides / Marc F. Lensink -- Implicit membrane models for membrane protein simulation / Michael Feig -- Comparative modeling of proteins / Gerald H. Lushington -- Transmembrane protein models based on high-throughput molecular dynamics simulations with experimental constraints / Andrew J. Beevers and Andreas Kukol -- Nuclear magnetic resonance-based modeling and refinement of protein three-dimensional structures and their complexes / Gloria Fuentes, Aalt D.J. van Dijk, and Alexandre M.J.J. Bonvin -- Conformational changes in protein function / Haiguang Liu [and others] -- Protein folding and unfolding by all-atom molecular dynamics simulations / Hongxin Lei and Yong Duan -- Modeling of protein misfolding in disease / Edyta B. Małolepsza -- Identifying putative drug targets and potential drug leads : starting points for virtual screening and docking / David S. Wishart -- Receptor flexibility for large-scale in silico ligand screens : chances and challenges / B. Fischer, H. Merlitz, and W. Wenzel -- Molecular docking / Garrett M. Morris and Marguerita Lim-Wilby
Control code
262622744
Dimensions
unknown
Extent
1 online resource (xi, 390 pages)
Form of item
online
Isbn
9781597451772
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-1-59745-177-2
Other physical details
illustrations.
Sound
unknown sound
Specific material designation
remote
System control number
(OCoLC)262622744
Label
Molecular modeling of proteins, Andreas Kukol, [editor]
Publication
Bibliography note
Includes bibliographical references and index
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
Molecular dynamics simulations / Erik R. Lindahl -- Monte Carlo simulations / David J. Earl and Michael W. Deem -- Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes / Jiali Gao [and others] -- Comparison of protein force fields for molecular dynamics simulations / Olgun Guvench and Alexander D. MacKerell, Jr. -- Normal modes and essential dynamics / Steven Hayward and Bert L. de Groot -- Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method / Hyung-June Woo -- Free energy calculations applied to membrane proteins / Christophe Chipot -- Molecular dynamics simulations of membrane proteins / Philip C. Biggin and Peter J. Bond -- Membrane-associated proteins and peptides / Marc F. Lensink -- Implicit membrane models for membrane protein simulation / Michael Feig -- Comparative modeling of proteins / Gerald H. Lushington -- Transmembrane protein models based on high-throughput molecular dynamics simulations with experimental constraints / Andrew J. Beevers and Andreas Kukol -- Nuclear magnetic resonance-based modeling and refinement of protein three-dimensional structures and their complexes / Gloria Fuentes, Aalt D.J. van Dijk, and Alexandre M.J.J. Bonvin -- Conformational changes in protein function / Haiguang Liu [and others] -- Protein folding and unfolding by all-atom molecular dynamics simulations / Hongxin Lei and Yong Duan -- Modeling of protein misfolding in disease / Edyta B. Małolepsza -- Identifying putative drug targets and potential drug leads : starting points for virtual screening and docking / David S. Wishart -- Receptor flexibility for large-scale in silico ligand screens : chances and challenges / B. Fischer, H. Merlitz, and W. Wenzel -- Molecular docking / Garrett M. Morris and Marguerita Lim-Wilby
Control code
262622744
Dimensions
unknown
Extent
1 online resource (xi, 390 pages)
Form of item
online
Isbn
9781597451772
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-1-59745-177-2
Other physical details
illustrations.
Sound
unknown sound
Specific material designation
remote
System control number
(OCoLC)262622744

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