Computational structural biology: methods and applications
Saved in:
| Format: | Book |
|---|---|
| Language: | English |
| Published: |
New Jersey [u.a.]
World Scientific
2008
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Hier auch später erschienene, unveränderte Nachdrucke Includes bibliographical references and index |
| Physical Description: | X, 779 S. Ill., graph. Darst. |
| ISBN: | 9789812778772 9812778772 |
Staff View
MARC
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| 245 | 1 | 0 | |a Computational structural biology |b methods and applications |c Torsten Schwede ; Manuel Peitsch |
| 264 | 1 | |a New Jersey [u.a.] |b World Scientific |c 2008 | |
| 300 | |a X, 779 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
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| 500 | |a Hier auch später erschienene, unveränderte Nachdrucke | ||
| 500 | |a Includes bibliographical references and index | ||
| 650 | 4 | |a Mathematisches Modell | |
| 650 | 4 | |a Proteins |x Structure |x Computer simulation | |
| 650 | 4 | |a Protein folding |x Computer simulation | |
| 650 | 4 | |a Proteins |x Structure |x Mathematical models | |
| 650 | 4 | |a Protein folding |x Mathematical models | |
| 650 | 4 | |a Computational biology | |
| 650 | 4 | |a Computational Biology |x methods | |
| 650 | 4 | |a Protein Conformation | |
| 650 | 4 | |a Drug Design | |
| 650 | 4 | |a Nucleic Acid Conformation | |
| 650 | 4 | |a Protein Folding | |
| 650 | 4 | |a RNA | |
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Record in the Search Index
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| adam_text | Contents
Preface v
Section I STRUCTURE PREDICTION 1
AND ASSESSMENT METHODS
Chapter 1 Protein Structure Modeling 3
T. Schwede, A. Salt, N. Eswar
and M. C. Peitsch
Chapter 2 Protein Fold Recognition and Threading 37
L. J. McGuffin
Chapter 3 Scoring Functions for Protein Structure 61
Prediction
Francisco Melo and Ernest Feytmans
Chapter 4 Assessment of Protein Structure Predictions 89
E. Capriotti and M. A. Marti-Renom
Chapter 5 The Biological Applications of Protein Models 111
A. Tramontano
Section II FROM STRUCTURE TO FUNCTION 129
TO DESIGN
Chapter 6 Evolution of Protein Folds 131
A. N. Lupas and K. K. Koretke
vii
viii Computational Structural Biology
Chapter 7 Classification of Protein Structures 153
A. Cuff, O. Redfern and C. Orengo
Chapter 8 Methods to Characterize the Structure 189
of Enzyme Binding Sites
A. Kahraman and J. M. Thornton
Chapter 9 Atomistic Simulations of Reactions 223
and Transition States
M. Meuwly
Chapter 10 Functional Motions in Biomolecules: 253
Insights from Computational Studies
at Multiple Scales
A. W. van Wynsberghe, L. Ma, X. Chen
and Q. Cut
Chapter 11 Protein-Protein Interactions 299
and Aggregation Processes
R. I. Dima
Chapter 12 Modeling and Simulation of Ion Channels 325
S. Berneche and B. Roux
Chapter 13 Milestones in Molecular Dynamics Simulations 363
of RNA Systems
Y. Hashem, E. Westhof and P. Auffmger
Chapter 14 Computational Protein Design 401
/. G. Saven
Chapter 15 Prediction and Identification of B Cell 425
Epitopes Using Protein Sequence
and Structure Information
P. Andersen, D. Mkhailov and O. Lund
Contents ix
Chapter 16 Computational Antibody Engineering 445
T. K. Nevanen, N. Munck
and U. Lamminmaki
Section III DRUG DISCOVERY AND 467
PHARMACOLOGY
Chapter 17 Small Molecule Docking 469
R. A. Friesner, M. Repasky and R. Farid
Chapter 18 Structure-based Pharmacophores and Screening 501
R. Lewis and R. G. Karki
Chapter 19 Molecular Dynamics-based Free 513
Energy Simulations
M. A. Cuendet, V. Zoete and O. Michielin
Chapter 20 Structure-based Computational Pharmacology 549
and Toxicology
Angclo Vedani and Martin Smiesko
Chapter 21 Structure-based Computational Approaches 573
to Drug Metabolism
M. A. Lill
Section IV NEW FRONTIERS IN EXPERIMENTAL 599
METHODS
Chapter 22 New Frontiers in X-ray Crystallography 601
C. U. Stirnimann and M. G. Griitter
Chapter 23 New Frontiers in High-Resolution 623
Electron Microscopy
A. Engel
x Computational Structural Biology
Chapter 24 New Frontiers in Characterizing Structure 655
and Dynamics by NMR
M. Niljjes, P. Markwick, T. Malliavin,
W. Rieping and M. Habeck
Section V SELECTED TOPICS 681
Chapter 25 Docking for Neglected Diseases 683
as Community Efforts
M. Podvinec, T. Schwede and M. C. Peitsch
Chapter 26 Protein Structure Databases 705
D. Dimitropoulos, M. John, E. Krissinel,
R. Newman and G. J. Swaminathan
Chapter 27 Molecular Graphics in Structural Biology 729
A. M. Lesk, H. J. Bernstein
and F. C. Bernstein
Index 771
|
| adam_txt |
Contents
Preface v
Section I STRUCTURE PREDICTION 1
AND ASSESSMENT METHODS
Chapter 1 Protein Structure Modeling 3
T. Schwede, A. Salt, N. Eswar
and M. C. Peitsch
Chapter 2 Protein Fold Recognition and Threading 37
L. J. McGuffin
Chapter 3 Scoring Functions for Protein Structure 61
Prediction
Francisco Melo and Ernest Feytmans
Chapter 4 Assessment of Protein Structure Predictions 89
E. Capriotti and M. A. Marti-Renom
Chapter 5 The Biological Applications of Protein Models 111
A. Tramontano
Section II FROM STRUCTURE TO FUNCTION 129
TO DESIGN
Chapter 6 Evolution of Protein Folds 131
A. N. Lupas and K. K. Koretke
vii
viii Computational Structural Biology
Chapter 7 Classification of Protein Structures 153
A. Cuff, O. Redfern and C. Orengo
Chapter 8 Methods to Characterize the Structure 189
of Enzyme Binding Sites
A. Kahraman and J. M. Thornton
Chapter 9 Atomistic Simulations of Reactions 223
and Transition States
M. Meuwly
Chapter 10 Functional Motions in Biomolecules: 253
Insights from Computational Studies
at Multiple Scales
A. W. van Wynsberghe, L. Ma, X. Chen
and Q. Cut
Chapter 11 Protein-Protein Interactions 299
and Aggregation Processes
R. I. Dima
Chapter 12 Modeling and Simulation of Ion Channels 325
S. Berneche and B. Roux
Chapter 13 Milestones in Molecular Dynamics Simulations 363
of RNA Systems
Y. Hashem, E. Westhof and P. Auffmger
Chapter 14 Computational Protein Design 401
/. G. Saven
Chapter 15 Prediction and Identification of B Cell 425
Epitopes Using Protein Sequence
and Structure Information
P. Andersen, D. Mkhailov and O. Lund
Contents ix
Chapter 16 Computational Antibody Engineering 445
T. K. Nevanen, N. Munck
and U. Lamminmaki
Section III DRUG DISCOVERY AND 467
PHARMACOLOGY
Chapter 17 Small Molecule Docking 469
R. A. Friesner, M. Repasky and R. Farid
Chapter 18 Structure-based Pharmacophores and Screening 501
R. Lewis and R. G. Karki
Chapter 19 Molecular Dynamics-based Free 513
Energy Simulations
M. A. Cuendet, V. Zoete and O. Michielin
Chapter 20 Structure-based Computational Pharmacology 549
and Toxicology
Angclo Vedani and Martin Smiesko
Chapter 21 Structure-based Computational Approaches 573
to Drug Metabolism
M. A. Lill
Section IV NEW FRONTIERS IN EXPERIMENTAL 599
METHODS
Chapter 22 New Frontiers in X-ray Crystallography 601
C. U. Stirnimann and M. G. Griitter
Chapter 23 New Frontiers in High-Resolution 623
Electron Microscopy
A. Engel
x Computational Structural Biology
Chapter 24 New Frontiers in Characterizing Structure 655
and Dynamics by NMR
M. Niljjes, P. Markwick, T. Malliavin,
W. Rieping and M. Habeck
Section V SELECTED TOPICS 681
Chapter 25 Docking for Neglected Diseases 683
as Community Efforts
M. Podvinec, T. Schwede and M. C. Peitsch
Chapter 26 Protein Structure Databases 705
D. Dimitropoulos, M. John, E. Krissinel,
R. Newman and G. J. Swaminathan
Chapter 27 Molecular Graphics in Structural Biology 729
A. M. Lesk, H. J. Bernstein
and F. C. Bernstein
Index 771 |
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| index_date | 2024-07-02T21:17:10Z |
| indexdate | 2024-07-09T21:17:21Z |
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| isbn | 9789812778772 9812778772 |
| language | English |
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| publisher | World Scientific |
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| spelling | Computational structural biology methods and applications Torsten Schwede ; Manuel Peitsch New Jersey [u.a.] World Scientific 2008 X, 779 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Hier auch später erschienene, unveränderte Nachdrucke Includes bibliographical references and index Mathematisches Modell Proteins Structure Computer simulation Protein folding Computer simulation Proteins Structure Mathematical models Protein folding Mathematical models Computational biology Computational Biology methods Protein Conformation Drug Design Nucleic Acid Conformation Protein Folding RNA Proteinfaltung (DE-588)4324567-5 gnd rswk-swf Computersimulation (DE-588)4148259-1 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Proteinfaltung (DE-588)4324567-5 s Computersimulation (DE-588)4148259-1 s DE-604 Schwede, Torsten Sonstige oth Peitsch, Manuel Sonstige oth HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016566165&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Computational structural biology methods and applications Mathematisches Modell Proteins Structure Computer simulation Protein folding Computer simulation Proteins Structure Mathematical models Protein folding Mathematical models Computational biology Computational Biology methods Protein Conformation Drug Design Nucleic Acid Conformation Protein Folding RNA Proteinfaltung (DE-588)4324567-5 gnd Computersimulation (DE-588)4148259-1 gnd |
| subject_GND | (DE-588)4324567-5 (DE-588)4148259-1 (DE-588)4143413-4 |
| title | Computational structural biology methods and applications |
| title_auth | Computational structural biology methods and applications |
| title_exact_search | Computational structural biology methods and applications |
| title_exact_search_txtP | Computational structural biology methods and applications |
| title_full | Computational structural biology methods and applications Torsten Schwede ; Manuel Peitsch |
| title_fullStr | Computational structural biology methods and applications Torsten Schwede ; Manuel Peitsch |
| title_full_unstemmed | Computational structural biology methods and applications Torsten Schwede ; Manuel Peitsch |
| title_short | Computational structural biology |
| title_sort | computational structural biology methods and applications |
| title_sub | methods and applications |
| topic | Mathematisches Modell Proteins Structure Computer simulation Protein folding Computer simulation Proteins Structure Mathematical models Protein folding Mathematical models Computational biology Computational Biology methods Protein Conformation Drug Design Nucleic Acid Conformation Protein Folding RNA Proteinfaltung (DE-588)4324567-5 gnd Computersimulation (DE-588)4148259-1 gnd |
| topic_facet | Mathematisches Modell Proteins Structure Computer simulation Protein folding Computer simulation Proteins Structure Mathematical models Protein folding Mathematical models Computational biology Computational Biology methods Protein Conformation Drug Design Nucleic Acid Conformation Protein Folding RNA Proteinfaltung Computersimulation Aufsatzsammlung |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016566165&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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