Analysis and visualization of molecular conformations:
Gespeichert in:
| Beteilige Person: | |
|---|---|
| Format: | Hochschulschrift/Dissertation Buch |
| Sprache: | Englisch |
| Veröffentlicht: |
Tönning [u.a.]
<<Der>> Andere Verl.
2008
|
| Schlagwörter: | |
| Links: | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022214839&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| Umfang: | 121 S. graph. Darst. |
| ISBN: | 9783899597998 |
Internformat
MARC
| LEADER | 00000nam a2200000 c 4500 | ||
|---|---|---|---|
| 001 | BV026667867 | ||
| 003 | DE-604 | ||
| 005 | 20110228 | ||
| 007 | t| | ||
| 008 | 110326s2008 xx d||| m||| 00||| eng d | ||
| 020 | |a 9783899597998 |9 978-3-89959-799-8 | ||
| 035 | |a (OCoLC)723817833 | ||
| 035 | |a (DE-599)BVBBV026667867 | ||
| 040 | |a DE-604 |b ger |e rakwb | ||
| 041 | 0 | |a eng | |
| 049 | |a DE-188 | ||
| 100 | 1 | |a Schmidt-Ehrenberg, Johannes |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Analysis and visualization of molecular conformations |c vorgelegt von Johannes Schmidt-Ehrenberg |
| 264 | 1 | |a Tönning [u.a.] |b <<Der>> Andere Verl. |c 2008 | |
| 300 | |a 121 S. |b graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 502 | |a Berlin, Freie Univ., Diss., 2008 | ||
| 650 | 0 | 7 | |a Konformationsänderung |0 (DE-588)4164966-7 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Visualisierung |0 (DE-588)4188417-6 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Molekülstruktur |0 (DE-588)4170383-2 |2 gnd |9 rswk-swf |
| 655 | 7 | |0 (DE-588)4113937-9 |a Hochschulschrift |2 gnd-content | |
| 689 | 0 | 0 | |a Molekülstruktur |0 (DE-588)4170383-2 |D s |
| 689 | 0 | 1 | |a Konformationsänderung |0 (DE-588)4164966-7 |D s |
| 689 | 0 | 2 | |a Visualisierung |0 (DE-588)4188417-6 |D s |
| 689 | 0 | |5 DE-188 | |
| 856 | 4 | 2 | |m DNB Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022214839&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 943 | 1 | |a oai:aleph.bib-bvb.de:BVB01-022214839 | |
Datensatz im Suchindex
| _version_ | 1819365994951344128 |
|---|---|
| adam_text | IMAGE 1
CONTENTS
1 INTRODUCTLON 1
2 VLSUALIZATION OF MOLECULES AND UNCERTAINTY 5
2.1 MOLECULAR VLSUALIZATION 5
2.2 UNCERTAINTY VISUALIZATION 13
2.3 VISUALIZATION OF HIGH-DIMENSIONAL DATA 15
3 DYNAMIC CONFORMATION ANALYSLS 19
3.1 THE SPATIAL TRANSITION OPERATOR 20
3.2 DISCRETIZATIONOFTHE TRANSITION OPERATOR 22
3.3 SAMPLINGOFTHECANONICALENSEMBLE 24
3.4 PERRON CLUSTER ANALYSIS 26
3.5 PARTITIONING THE POSITION SPACE 30
3.6 APPROACHES BASED ON HIDDEN MARKOV MODELS 36
3.6.1 THE CLASSICAL HIDDEN MARKOV MODEL (HMM) 37
3.6.2 HIDDEN MARKOV MODELS AND PRINCIPAL COMPONENT ANALY- SIS (HMM-PCA)
40
3.6.3 HIDDEN MARKOV MODEIS AND STOCHASTIC DIFFERENTIAL EQUA- TIONS
(HMM-SDE) 42
3.7 SUMMARY 44
4 VLSUALIZATION OF MOLECULAR FORM COLLECTLONS 45
4.1 SPATIAL FORM DENSITY ESTIMATION (SFDE) 46
4.2 VISUALIZATION OFEXPECTED FOR MS AND ESSENTIALMOTIONS 54 4.3 SUMMARY
56
5 AIIGNMENT STRATEGIES 57
5.1 WHICH AIIGNMENT DO WE NEED ? 58
5.2 MAXIMAL STIFFSTRUCTURES AND METASTABLEGROUPSOFATOMS 63 5.3 THE
DECOMPOSITION TREE AND ITS TRANSLATION INTO A GROUPING FUNCTION 65 5.4
SUMMARY 66
BIBLIOGRAFISCHE INFORMATIONEN HTTP://D-NB.INFO/991842766
DIGITALISIERT DURCH
IMAGE 2
6 AIIGNMENT ALGORITHMS 69
6.1 PARTIAL PROCRUSTES ANALYSIS 69
6.1.1 ORDINARY PARTIAL PROCRUSTES ANALYSIS 70
6.1.2 GENERALIZED PARTIAL PROCRUSTES ANALYSIS (GPPA) 72 6.2 FORM CLUSTER
PROCRUSTES ANALYSIS 75
6.2.1 A NEW OBJECTIVE FUNCU ON 77
62.2 COMPUTATIONOFTHE AIIGNMENT 81
6.3 SUMMARY 89
7 APPLICATIONS 91
7.1 DYNAMIC CONFORMATIONSOFBSI 91
7.2 DYNAMIC CONFORMATIONSOFDODECA-ALANINE 97
8 DISCUSSION 105
A APPENDIX 107
A.1 EXPECTARION VALUES AND VARIANCES 107
A.2 THE VON-MISES-DISTRIBUTION 111
BIBLLOGRAPHY 113
|
| any_adam_object | 1 |
| author | Schmidt-Ehrenberg, Johannes |
| author_facet | Schmidt-Ehrenberg, Johannes |
| author_role | aut |
| author_sort | Schmidt-Ehrenberg, Johannes |
| author_variant | j s e jse |
| building | Verbundindex |
| bvnumber | BV026667867 |
| ctrlnum | (OCoLC)723817833 (DE-599)BVBBV026667867 |
| format | Thesis Book |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01535nam a2200373 c 4500</leader><controlfield tag="001">BV026667867</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20110228 </controlfield><controlfield tag="007">t|</controlfield><controlfield tag="008">110326s2008 xx d||| m||| 00||| eng d</controlfield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9783899597998</subfield><subfield code="9">978-3-89959-799-8</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)723817833</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV026667867</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-188</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Schmidt-Ehrenberg, Johannes</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Analysis and visualization of molecular conformations</subfield><subfield code="c">vorgelegt von Johannes Schmidt-Ehrenberg</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Tönning [u.a.]</subfield><subfield code="b"><<Der>> Andere Verl.</subfield><subfield code="c">2008</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">121 S.</subfield><subfield code="b">graph. Darst.</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="502" ind1=" " ind2=" "><subfield code="a">Berlin, Freie Univ., Diss., 2008</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Konformationsänderung</subfield><subfield code="0">(DE-588)4164966-7</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Visualisierung</subfield><subfield code="0">(DE-588)4188417-6</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Molekülstruktur</subfield><subfield code="0">(DE-588)4170383-2</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="0">(DE-588)4113937-9</subfield><subfield code="a">Hochschulschrift</subfield><subfield code="2">gnd-content</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Molekülstruktur</subfield><subfield code="0">(DE-588)4170383-2</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="1"><subfield code="a">Konformationsänderung</subfield><subfield code="0">(DE-588)4164966-7</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="2"><subfield code="a">Visualisierung</subfield><subfield code="0">(DE-588)4188417-6</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-188</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">DNB Datenaustausch</subfield><subfield code="q">application/pdf</subfield><subfield code="u">http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022214839&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="943" ind1="1" ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-022214839</subfield></datafield></record></collection> |
| genre | (DE-588)4113937-9 Hochschulschrift gnd-content |
| genre_facet | Hochschulschrift |
| id | DE-604.BV026667867 |
| illustrated | Illustrated |
| indexdate | 2024-12-20T15:09:10Z |
| institution | BVB |
| isbn | 9783899597998 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-022214839 |
| oclc_num | 723817833 |
| open_access_boolean | |
| owner | DE-188 |
| owner_facet | DE-188 |
| physical | 121 S. graph. Darst. |
| publishDate | 2008 |
| publishDateSearch | 2008 |
| publishDateSort | 2008 |
| publisher | <<Der>> Andere Verl. |
| record_format | marc |
| spellingShingle | Schmidt-Ehrenberg, Johannes Analysis and visualization of molecular conformations Konformationsänderung (DE-588)4164966-7 gnd Visualisierung (DE-588)4188417-6 gnd Molekülstruktur (DE-588)4170383-2 gnd |
| subject_GND | (DE-588)4164966-7 (DE-588)4188417-6 (DE-588)4170383-2 (DE-588)4113937-9 |
| title | Analysis and visualization of molecular conformations |
| title_auth | Analysis and visualization of molecular conformations |
| title_exact_search | Analysis and visualization of molecular conformations |
| title_full | Analysis and visualization of molecular conformations vorgelegt von Johannes Schmidt-Ehrenberg |
| title_fullStr | Analysis and visualization of molecular conformations vorgelegt von Johannes Schmidt-Ehrenberg |
| title_full_unstemmed | Analysis and visualization of molecular conformations vorgelegt von Johannes Schmidt-Ehrenberg |
| title_short | Analysis and visualization of molecular conformations |
| title_sort | analysis and visualization of molecular conformations |
| topic | Konformationsänderung (DE-588)4164966-7 gnd Visualisierung (DE-588)4188417-6 gnd Molekülstruktur (DE-588)4170383-2 gnd |
| topic_facet | Konformationsänderung Visualisierung Molekülstruktur Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022214839&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT schmidtehrenbergjohannes analysisandvisualizationofmolecularconformations |