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...

Olles dieđut

Furkejuvvon:
Bibliográfalaš dieđut
Váldodahkki: Czodrowski, Paul
Eará dahkkit: Klebe, Gerhard (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Materiálatiipa: Dissertation
Giella:eaŋgalasgiella
Almmustuhtton: Philipps-Universität Marburg 2006
Fáttát:
Protonation states
pKa values
Protein-Ligand Komplexe
Electrostatics
Drug design
Protonatierungszustände
Drug Design
pKa Werte
Electrostatik
Medizin
Protein-ligand complexes
Medical sciences Medicine
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