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

Die ständige Weiterentwicklung der Computer-Hardware und die daraus resultierende Steigerung der Rechenleistung ermöglicht heutzutage eine erfolgreiche Modellierung von chemischen und biologischen Prozessen, die vor 20 Jahren noch undenkbar war. Als Beispiele sind Molekulardynamik-Simulationen gross...

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Bibliographic Details
Main Author: Czodrowski, Paul
Contributors: Klebe, Gerhard (Prof. Dr.) (Thesis advisor)
Format: Dissertation
Language:German
Published: Philipps-Universität Marburg 2006
Pharmazeutische Chemie
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Call Number: urn:nbn:de:hebis:04-z2006-08011
Downloads: 65 (2019), 49 (2018), 73 (2017), 120 (2016)
Publication Date: 2006-12-21
License: According to UrhG § 31 (2), the author has granted the University Library Marburg the right of use for electronic publication on the Internet and for archiving on its archive server. He has declared that with the granting of the right of use according to UrhG § 31 (3) no exclusive rights of third parties are violated. All other rights for the exploitation of the publication remain with the author.
Access URL: http://archiv.ub.uni-marburg.de/diss/z2006/0801
https://doi.org/10.17192/z2006.0801