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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Autor principal: Czodrowski, Paul
Outros Autores: Klebe, Gerhard (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Formato: Dissertation
Idioma:inglês
Publicado em: Philipps-Universität Marburg 2006
Assuntos:
Protonation states
pKa values
Protein-Ligand Komplexe
Electrostatics
Drug design
Protonatierungszustände
Drug Design
pKa Werte
Electrostatik
Medizin
Protein-ligand complexes
Medical sciences Medicine
Acesso em linha:Texto integral em PDF
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!

Registos relacionados