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          Institute: MPI für biophysikalische Chemie     Collection: Theoretische und computergestützte Biophysik (Dr. Helmut Grubmüller)     Display Documents



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ID: 433092.0, MPI für biophysikalische Chemie / Theoretische und computergestützte Biophysik (Dr. Helmut Grubmüller)
Inclusion of ionization states of ligands in affinity calculations.
Authors:Donnini, S.; Villa, A.; Groenhof, G.; Mark, A. E.; Wierenga, R. K.; Juffer, A. H.
Language:English
Date of Publication (YYYY-MM-DD):2009-07
Title of Journal:Proteins: Structure, Function, and Bioinformatics
Volume:76
Issue / Number:1
Start Page:138
End Page:150
Review Status:not specified
Audience:Not Specified
Free Keywords:binding free energy; effective affinity; molecular dynamics; pK calculations; protonation equilibria; thermodynamic integration; triosephosphate isomerase
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für biophysikalische Chemie/Abt. Helmut Grubmüller / 070
Identifiers:URL:http://www3.interscience.wiley.com/cgi-bin/fulltex...
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