Molecular modeling of proteins:
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Totowa, NJ
Humana Press
2008
|
| Schriftenreihe: | Methods in molecular biology
443 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XI, 390 S. Ill., graph. Darst. |
| ISBN: | 9781588298645 |
Internformat
MARC
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| 245 | 1 | 0 | |a Molecular modeling of proteins |c [ed. by] Andreas Kukol |
| 264 | 1 | |a Totowa, NJ |b Humana Press |c 2008 | |
| 300 | |a XI, 390 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a Methods in molecular biology |v 443 | |
| 650 | 4 | |a Computer Simulation | |
| 650 | 4 | |a Models, Molecular | |
| 650 | 4 | |a Proteins | |
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Datensatz im Suchindex
| _version_ | 1804137376778289152 |
|---|---|
| adam_text | Contents
Preface
............................................................
v
Contributors
....................................................... ix
Parti Methodology
1
Molecular Dynamics Simulations
.............................. 3
Erik R.
Lindahl
2
Monte Carlo Simulations
..................................... 25
David J. Earl and Michael W. Deem
3
Hybrid Quantum and Classical Methods for Computing
Kinetic Isotope Effects of Chemical Reactions in Solutions
and in Enzymes
............................................. 37
Jiali
Gao,
Dan T. Major, Yao Fan, Yen-lin Lin, Shuhua Ma,
and Kin-Yiu Wong
4
Comparison of Protein Force Fields for Molecular Dynamics
Simulations
................................................ 63
Olgun Guvench and Alexander D. MacKerell, Jr.
5
Normal Modes and Essential Dynamics
......................... 89
Steven Hayward and Bert L.
de Groot
Part II Free Energy Calculations
6
Calculation of Absolute Protein-Ligand Binding Constants
with the Molecular Dynamics Free Energy Perturbation Method
... 109
Hyung-June Woo
7
Free Energy Calculations Applied to Membrane Proteins
.......... 121
Christophe Chipot
viii Contents
Part III Molecular Modeling of Membrane Proteins
8
Molecular Dynamics Simulations of Membrane Proteins
.......... 147
Philip
С
Biggin and Peter J. Bond
9
Membrane-Associated Proteins and Peptides
.................... 161
Marc F. Lensink
10
Implicit Membrane Models for Membrane Protein Simulation
..... 181
Michael
Feig
Part IV Protein Structure Determination
11
Comparative Modeling of Proteins
............................. 199
Gerald H. Lushington
12
Transmembrane
Protein Models Based on High-Throughput
Molecular Dynamics Simulations with Experimental Constraints
... 213
Andrew J. Beevers and Andreas
Kukol
13
Nuclear Magnetic Resonance-Based Modeling and Refinement
of Protein Three-Dimensional Structures and Their Complexes
.....229
Gloria
Fuentes,
Aalt DJ.
van
Dijk,
and
Alexandre MJ.J.
Bonvin
Part V Conformational Change
14
Conformational Changes in Protein Function
.................... 259
Haiguang Liu, Shubhra Ghosh Dastidar, Hongxing Lei, Wei Zhang,
Matthew C. Lee, and Yong Duan
15
Protein Folding and Unfolding by All-Atom Molecular Dynamics
Simulations
................................................ 277
Hongxing Lei and Yong Duan
16
Modeling of Protein Misfolding in Disease
....................... 297
Edyta
В.
Małolepsza
Part VI Applications to Drug Design
17
Identifying Putative Drug Targets and Potential Drug Leads:
Starting Points for Virtual Screening and Docking
................. 333
David S.
Wishart
18
Receptor Flexibility for Large-Scale In Silico Ligand Screens:
Chances and Challenges
...................................... 353
B. Fischer, H. Merlitz, and W.
Wenzel
19
Molecular Docking
.......................................... 365
Garrett M. Morris and Marguerite Lim-Wilby
Index
.............................................................383
|
| adam_txt |
Contents
Preface
.
v
Contributors
. ix
Parti Methodology
1
Molecular Dynamics Simulations
. 3
Erik R.
Lindahl
2
Monte Carlo Simulations
. 25
David J. Earl and Michael W. Deem
3
Hybrid Quantum and Classical Methods for Computing
Kinetic Isotope Effects of Chemical Reactions in Solutions
and in Enzymes
. 37
Jiali
Gao,
Dan T. Major, Yao Fan, Yen-lin Lin, Shuhua Ma,
and Kin-Yiu Wong
4
Comparison of Protein Force Fields for Molecular Dynamics
Simulations
. 63
Olgun Guvench and Alexander D. MacKerell, Jr.
5
Normal Modes and Essential Dynamics
. 89
Steven Hayward and Bert L.
de Groot
Part II Free Energy Calculations
6
Calculation of Absolute Protein-Ligand Binding Constants
with the Molecular Dynamics Free Energy Perturbation Method
. 109
Hyung-June Woo
7
Free Energy Calculations Applied to Membrane Proteins
. 121
Christophe Chipot
viii Contents
Part III Molecular Modeling of Membrane Proteins
8
Molecular Dynamics Simulations of Membrane Proteins
. 147
Philip
С
Biggin and Peter J. Bond
9
Membrane-Associated Proteins and Peptides
. 161
Marc F. Lensink
10
Implicit Membrane Models for Membrane Protein Simulation
. 181
Michael
Feig
Part IV Protein Structure Determination
11
Comparative Modeling of Proteins
. 199
Gerald H. Lushington
12
Transmembrane
Protein Models Based on High-Throughput
Molecular Dynamics Simulations with Experimental Constraints
. 213
Andrew J. Beevers and Andreas
Kukol
13
Nuclear Magnetic Resonance-Based Modeling and Refinement
of Protein Three-Dimensional Structures and Their Complexes
.229
Gloria
Fuentes,
Aalt DJ.
van
Dijk,
and
Alexandre MJ.J.
Bonvin
Part V Conformational Change
14
Conformational Changes in Protein Function
. 259
Haiguang Liu, Shubhra Ghosh Dastidar, Hongxing Lei, Wei Zhang,
Matthew C. Lee, and Yong Duan
15
Protein Folding and Unfolding by All-Atom Molecular Dynamics
Simulations
. 277
Hongxing Lei and Yong Duan
16
Modeling of Protein Misfolding in Disease
. 297
Edyta
В.
Małolepsza
Part VI Applications to Drug Design
17
Identifying Putative Drug Targets and Potential Drug Leads:
Starting Points for Virtual Screening and Docking
. 333
David S.
Wishart
18
Receptor Flexibility for Large-Scale In Silico Ligand Screens:
Chances and Challenges
. 353
B. Fischer, H. Merlitz, and W.
Wenzel
19
Molecular Docking
. 365
Garrett M. Morris and Marguerite Lim-Wilby
Index
.383 |
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| index_date | 2024-07-02T19:48:56Z |
| indexdate | 2024-07-09T21:11:19Z |
| institution | BVB |
| isbn | 9781588298645 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-016315468 |
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| physical | XI, 390 S. Ill., graph. Darst. |
| publishDate | 2008 |
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| publisher | Humana Press |
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| series | Methods in molecular biology |
| series2 | Methods in molecular biology |
| spelling | Molecular modeling of proteins [ed. by] Andreas Kukol Totowa, NJ Humana Press 2008 XI, 390 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Methods in molecular biology 443 Computer Simulation Models, Molecular Proteins Proteins Structure Computer simulation Molekülstruktur (DE-588)4170383-2 gnd rswk-swf Molekulardesign (DE-588)4265444-0 gnd rswk-swf Proteine (DE-588)4076388-2 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Proteine (DE-588)4076388-2 s Molekulardesign (DE-588)4265444-0 s DE-604 Molekülstruktur (DE-588)4170383-2 s b DE-604 Kukol, Andreas 1969- Sonstige (DE-588)115527680 oth Methods in molecular biology 443 (DE-604)BV035362695 443 Digitalisierung UB Regensburg application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016315468&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Molecular modeling of proteins Methods in molecular biology Computer Simulation Models, Molecular Proteins Proteins Structure Computer simulation Molekülstruktur (DE-588)4170383-2 gnd Molekulardesign (DE-588)4265444-0 gnd Proteine (DE-588)4076388-2 gnd |
| subject_GND | (DE-588)4170383-2 (DE-588)4265444-0 (DE-588)4076388-2 (DE-588)4143413-4 |
| title | Molecular modeling of proteins |
| title_auth | Molecular modeling of proteins |
| title_exact_search | Molecular modeling of proteins |
| title_exact_search_txtP | Molecular modeling of proteins |
| title_full | Molecular modeling of proteins [ed. by] Andreas Kukol |
| title_fullStr | Molecular modeling of proteins [ed. by] Andreas Kukol |
| title_full_unstemmed | Molecular modeling of proteins [ed. by] Andreas Kukol |
| title_short | Molecular modeling of proteins |
| title_sort | molecular modeling of proteins |
| topic | Computer Simulation Models, Molecular Proteins Proteins Structure Computer simulation Molekülstruktur (DE-588)4170383-2 gnd Molekulardesign (DE-588)4265444-0 gnd Proteine (DE-588)4076388-2 gnd |
| topic_facet | Computer Simulation Models, Molecular Proteins Proteins Structure Computer simulation Molekülstruktur Molekulardesign Proteine Aufsatzsammlung |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016315468&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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