Prediction of protonation states in ligand-protein complexes upon ligand binding

Prediction of protonation states in ligand-protein complexes upon ligand binding

Recent hardware development increase the computing power, in consequence many biological and chemical processes can now be successfully modelled in a way which was not to imagine 20 years ago. Examples of such processes are molecular dynamics studies of large biomolecules, the prediction of free ene...

Descrizione completa

Salvato in:
Dettagli Bibliografici
Autore principale: Czodrowski, Paul
Altri autori: Klebe, Gerhard (Prof. Dr.) (Relatore della tesi)
Natura: Dissertation
Lingua:inglese
Pubblicazione: Philipps-Universität Marburg 2006
Soggetti:
Protonation states
pKa values
Protein-Ligand Komplexe
Electrostatics
Drug design
Protonatierungszustände
Drug Design
pKa Werte
Electrostatik
Medizin
Protein-ligand complexes
Medical sciences Medicine
Accesso online:PDF Full Text
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!

Accesso online

PDF Full Text

Dettagli sul posseduto da
Collocazione: urn:nbn:de:hebis:04-z2006-08011
Data di pubblicazione: 2006-12-21
Datum der Annahme: 2006-11-24
Downloads: 53 (2024), 77 (2023), 92 (2022), 145 (2021), 165 (2020), 89 (2019), 49 (2018)
Lizenz: https://rightsstatements.org/vocab/InC-NC/1.0/
URL di accesso: https://archiv.ub.uni-marburg.de/diss/z2006/0801
https://doi.org/10.17192/z2006.0801

Documenti analoghi