Development of models to describe the dynamics and interaction with water molecules in protein-ligand binding

Betz, Michael

doi:https://doi.org/10.17192/z2015.0420

Thesis

Open Access

Development of models to describe the dynamics and interaction with water molecules in protein-ligand binding

Files

dmb.pdf (170.54 MB)

Date

2015-12-23

Authors

Betz, Michael

Publisher

Philipps-Universität Marburg

DOI

https://doi.org/10.17192/z2015.0420

Abstract

Wassermoleküle formen Netzwerke, die einen erheblichen Einfluss auf die Protein-Ligand Bingung nehmen. Sowohl strukturelle als auch thermodynamische Daten werden miteinander korreliert. Durch Molekulardynamische Simulationen werden Netzwerke erfolgreich reproduziert und vorhergesagt.

Metadata

Contributors

Supervisor:

Klebe, Gerhard (Prof. Dr.)

Dates

Created: 2015Issued: 2015-12-23

DOI

https://doi.org/10.17192/z2015.0420

Faculty

Fachbereich Pharmazie

Publisher

Philipps-Universität Marburg

Language

eng

Data types

DoctoralThesis

Keywords

ProteinWaterSimulation

DFG-subjects

WasserSimulationProteinbindung

DDC-Numbers

610

License

https://rightsstatements.org/vocab/InC-NC/1.0/

URI

https://open.uni-marburg.de/handle/10.17192/z2015.0420

Betz, Michael: Development of models to describe the dynamics and interaction with water molecules in protein-ligand binding. : Philipps-Universität Marburg 2015-12-23. DOI: https://doi.org/10.17192/z2015.0420.

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This item has been published with the following license: In Copyright

Development of models to describe the dynamics and interaction with water molecules in protein-ligand binding

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