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

Czodrowski, Paul

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...

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Kaituhi matua:	Czodrowski, Paul
Ētahi atu kaituhi:	Klebe, Gerhard (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Hōputu:	Dissertation
Reo:	Ingarihi
I whakaputaina:	Philipps-Universität Marburg 2006
Ngā marau:	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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Prediction of protonation states in ligand-protein complexes upon ligand binding

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