Publikationsserver der Universitätsbibliothek Marburg
Titel:Development of models to describe the dynamics and interaction with water molecules in protein-ligand binding
Autor:Betz, Michael
Weitere Beteiligte: Klebe, Gerhard (Prof. Dr.)
Veröffentlicht:2015
URI:https://archiv.ub.uni-marburg.de/diss/z2015/0420
DOI: https://doi.org/10.17192/z2015.0420
URN: urn:nbn:de:hebis:04-z2015-04208
DDC:610 Medizin
Titel (trans.):Entwicklung von Modellen zur Beschreibung der Dynamik und Interaktion mit Wasser Molekülen bei der Protein-Ligand Bindung
Publikationsdatum:2015-12-23
Lizenz:https://rightsstatements.org/vocab/InC-NC/1.0/

Dokument

Schlagwörter:
Water, Wasser, Simulation, Protein, Simulation, Proteinbindung

Summary:
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.

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