Verfügbarkeit: Lipid-protein interactions at the membrane interface

Lipid-protein interactions at the membrane interface: = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche

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Bibliographische Detailangaben
1. Verfasser:	Sandoval-Perez, Angelica (VerfasserIn)
Format:	Abschlussarbeit Buch
Sprache:	English
Veröffentlicht:	Erlangen ; Nürnberg [2017]
Schlagworte:	Proteine Wechselwirkung Biomembran Molekulardynamik Hochschulschrift
Online-Zugang:	Inhaltsverzeichnis
Beschreibung:	xlviii, 135 Seiten Illustrationen, Diagramme

Internformat

MARC


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Datensatz im Suchindex

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adam_text	C ONTENTS DECLARATION O F AUTHORSHIP III ABSTRACT V ZUSAMMENFASSUNG VII ACKNOWLEDGEMENTS IX CONTENTS XI LIST OF FIGURES XV LIST O F TABLES XIX ABBREVIATIONS XXI INTRODUCTION XXV 1 M ETHODS 1 1.1 MD SIMULATIONS....................................................................................... 1 1.2 THE POTENTIAL OF MEAN F O RCE ................................................................. 6 1.2.1 PULLING AND UMBRELLA S AM P LIN G ............................................... 8 2 THE MOLECULAR SWITCHING MECHANISM AT THE CONSERVED D (E )R Y M OTIF IN CLASS-A G PC R S 11 2.1 A B STRA C T.................................................................................................... 13 2.2 INTRODUCTION............................................................................................. 14 2.3 M ETH O D S........................................................................................................16 2.3.1 PEPTIDE SEQUENCES USED IN MD CALCULATIONS..................................16 2.3.2 DETAILS OF MD SIM ULATIONS........................................................ 17 2.3.3 DETERMINATION OF GLU27 PKA ON HELICAL PEPTIDES AND UNSTRUC- TURED PEPTIDES.............................................................................. 18 2.3.4 INFRARED SPECTROSCOPY OF LIPID-RECONSTITUTED MODEL PEPTIDES AND OPSIN M U T A N T S ......................................................................... 19 2.4 R ESU LTS........................................................................................................... 20 2.4.1 COUPLING OF GLU27 PROTONATION TO TRANSMEMBRANE HELICITY . . 20 2.4.2 DYNAMICS OF GLU27 SIDE CHAIN CONFORMATION ................................ 22 2.4.3 PROTONATION-DEPENDENT TRANSMEMBRANE POSITIONING OF THE HELICAL BACKBONE ............................................................................23 2.4.4 COUPLING OF GLU27 SIDE CHAIN PKA TO DIELECTRIC ENVIRONMENT . 23 2.4.5 GLU27 PROTONATION EXERTS LONG-RANGE DIELECTRIC EFFECTS WITHIN THE BILAY ER ........................................................................................ 26 2.4.6 SIDE CHAIN-DEPENDENT DYNAMICS OF THE SUB-HEADGROUP H- BOND N E TW O RK .................................................................................. 27 2.5 D ISCUSSION.....................................................................................................29 2.6 ACKNOWLEDGEMENT ........................................................................................ 33 3 CRITICAL COMPARISON OF BIOMEMBRANE FORCE FIELDS: PROTEIN-LIPID INTERACTIONS AT THE M EMBRANE INTERFACE 35 3.1 A B S TRA C T................- . ........................................... ..................................... 37 3.2 INTRODUCTION..................................................................................................37 3.3 MATERIALS AND M ETH O D S .............................................. 39 3.3.1 TRANSMEMBRANE PROTEIN SIM ULATIONS ............................................. 40 3.3.2 TRANSMEMBRANE PEPTIDE SIMULATIONS ............................................. 42 3.3.3 INSERTION DEPTH OF OLIGOPEPTIDES AT THE MEMBRANE INTERFACE . 42 3.3.4 ENERGY PROFILES OF INDIVIDUAL AMINO ACIDS ..................................... 44 3.3.5 ENERGY PROFILES OF DIPEPTIDES ......................................................... 46 3.3.6 FREE ENERGIES OF ABSORPTION OF OLIGOPEPTIDES ..................................47 3.4 R ESULTS........................................................................................................... 47 3.4.1 CONSERVATION OF SECONDARY STRU CTU RE.............................................47 3.4.2 TRANSMEMBRANE PEPTIDE POSITIONING...............................................48 3.4.3 ABSORPTION OF WIMLEY-WHITE PEPTIDES TO THE MEMBRANE IN TERFACE................................................................................................. 50 3.4.4 PROFILES OF UNCAPPED AMINO ACIDS ................................................... 51 3.4.5 VALIDATION OF LINEAR MEMBRANE ABSORPTION FREE ENERGY FOR P E P TID E S ............................................................................................53 3.4.6 INSERTION ENERGY OF WIMLEY-WHITE PEPTIDES. . . ......................... 54 3.5 DISCUSSION AND GONCLUSIONS ......................................................................56 3.6 ACKNOWLEDGMENTS ........................................................................................ 58 4 INTERFACIAL M EMBRANE BINDING REGULATES TOXICITY O F ANTIMICROBIAL PEPTIDES 61 SUMMARY AND CONCLUSIONS 69 APPENDICES 71 A SUPPLEMENTARY INFORMATION: THE MOLECULAR SWITCHING MECHANISM AT THE CONSERVED D (E )R Y M OTIF IN CLASS-A G PC R S 71 B SUPPLEMENT ARY INFORMATION: CRITICAL COMPARISON O F BIOM EM BRANE FORCE FIELDS: PROTEIN-LIPID INTERACTIONS AT THE MEMBRANE INTERFACE 73 C SUPLEMENTARY INFORMATION: INTERFACIAL MEMBRANE BINDING REGU- LATES TOXICITY OF ANTIMICROBIAL PEPTIDES 101 BIBLIOGRAPHY 121
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author	Sandoval-Perez, Angelica
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spelling	Sandoval-Perez, Angelica Verfasser aut Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche vorgelegt von Angelica Sandoval-Perez aus Bogota-Colombia Lipid-Protein Wechselwirkungen an der Membrangrenzfläche Erlangen ; Nürnberg [2017] xlviii, 135 Seiten Illustrationen, Diagramme txt rdacontent n rdamedia nc rdacarrier Dissertation Friedrich-Alexander-Universität Erlangen-Nürnberg 2017 Proteine (DE-588)4076388-2 gnd rswk-swf Wechselwirkung (DE-588)4064937-4 gnd rswk-swf Biomembran (DE-588)4006884-5 gnd rswk-swf Molekulardynamik (DE-588)4170370-4 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Biomembran (DE-588)4006884-5 s Molekulardynamik (DE-588)4170370-4 s Wechselwirkung (DE-588)4064937-4 s Proteine (DE-588)4076388-2 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029947586&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis
spellingShingle	Sandoval-Perez, Angelica Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche Proteine (DE-588)4076388-2 gnd Wechselwirkung (DE-588)4064937-4 gnd Biomembran (DE-588)4006884-5 gnd Molekulardynamik (DE-588)4170370-4 gnd
subject_GND	(DE-588)4076388-2 (DE-588)4064937-4 (DE-588)4006884-5 (DE-588)4170370-4 (DE-588)4113937-9
title	Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche
title_alt	Lipid-Protein Wechselwirkungen an der Membrangrenzfläche
title_auth	Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche
title_exact_search	Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche
title_full	Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche vorgelegt von Angelica Sandoval-Perez aus Bogota-Colombia
title_fullStr	Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche vorgelegt von Angelica Sandoval-Perez aus Bogota-Colombia
title_full_unstemmed	Lipid-protein interactions at the membrane interface = Lipid-Protein Wechselwirkungen an der Membrangrenzfläche vorgelegt von Angelica Sandoval-Perez aus Bogota-Colombia
title_short	Lipid-protein interactions at the membrane interface
title_sort	lipid protein interactions at the membrane interface lipid protein wechselwirkungen an der membrangrenzflache
title_sub	= Lipid-Protein Wechselwirkungen an der Membrangrenzfläche
topic	Proteine (DE-588)4076388-2 gnd Wechselwirkung (DE-588)4064937-4 gnd Biomembran (DE-588)4006884-5 gnd Molekulardynamik (DE-588)4170370-4 gnd
topic_facet	Proteine Wechselwirkung Biomembran Molekulardynamik Hochschulschrift
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029947586&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
work_keys_str_mv	AT sandovalperezangelica lipidproteininteractionsatthemembraneinterfacelipidproteinwechselwirkungenandermembrangrenzflache AT sandovalperezangelica lipidproteinwechselwirkungenandermembrangrenzflache

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