QVADIS: A package to compute proton transfer pathways in proteins
| dc.contributor.author | Kunz, Kerstin | |
| dc.contributor.author | Helms, Volkhard | |
| dc.contributor.editor | Falter, Claudia | |
| dc.contributor.editor | Schliep, Alexander | |
| dc.contributor.editor | Selbig, Joachim | |
| dc.contributor.editor | Vingron, Martin | |
| dc.contributor.editor | Walther, Dirk | |
| dc.date.accessioned | 2019-05-15T08:32:27Z | |
| dc.date.available | 2019-05-15T08:32:27Z | |
| dc.date.issued | 2007 | |
| dc.description.abstract | Proton transfer reactions play an important role in many areas of biology. We reimplemented a method introduced by Taraphder et al. to characterize putative proton transfer pathways in proteins along hydrogen bonded networks and could re- trace their results on cytochrome P450cam. By combining this method with our established Q-HOP approach to compute proton transfer probabilities we present here to our best knowledge for the first time a general program package to characterize proton transfer pathways in biomolecules accounting for both side chain flexibility and transfer kinetics. | en |
| dc.identifier.isbn | 978-3-88579-209-3 | |
| dc.identifier.pissn | 1617-5468 | |
| dc.identifier.uri | https://dl.gi.de/handle/20.500.12116/22361 | |
| dc.language.iso | en | |
| dc.publisher | Gesellschaft für Informatik e. V. | |
| dc.relation.ispartof | German conference on bioinformatics – GCB 2007 | |
| dc.relation.ispartofseries | Lecture Notes in Informatics (LNI) - Proceedings, Volume P-115 | |
| dc.title | QVADIS: A package to compute proton transfer pathways in proteins | en |
| dc.type | Text/Conference Paper | |
| gi.citation.endPage | 122 | |
| gi.citation.publisherPlace | Bonn | |
| gi.citation.startPage | 111 | |
| gi.conference.date | September 26-28, 2007, Potsdam, | |
| gi.conference.location | Potsdam | |
| gi.conference.sessiontitle | Regular Research Papers |
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