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...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijä: Czodrowski, Paul
Muut tekijät: Klebe, Gerhard (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Aineistotyyppi: Dissertation
Kieli:englanti
Julkaistu: Philipps-Universität Marburg 2006
Aiheet:
Protonation states
pKa values
Protein-Ligand Komplexe
Electrostatics
Drug design
Protonatierungszustände
Drug Design
pKa Werte
Electrostatik
Medizin
Protein-ligand complexes
Medical sciences Medicine
Linkit:PDF-kokoteksti
Tagit: Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!
No references were found for this record.

Samankaltaisia teoksia