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Andrea Volkamer
Researcher at Charité
Publications - 53
Citations - 1847
Andrea Volkamer is an academic researcher from Charité. The author has contributed to research in topics: Computer science & Druggability. The author has an hindex of 13, co-authored 45 publications receiving 1173 citations. Previous affiliations of Andrea Volkamer include Humboldt University of Berlin & University of Hamburg.
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DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment.
TL;DR: DoGSiteScorer is a newly developed automatic tool combining pocket prediction, characterization and druggability estimation and is now available through a web server.
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Combining Global and Local Measures for Structure-Based Druggability Predictions
TL;DR: These findings for globalpocket descriptors coincide with previously published methods affirming that size, shape, and hydrophobicity are important global pocket descriptors for automatic druggability prediction.
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KinMap: a web-based tool for interactive navigation through human kinome data.
TL;DR: Preprocessed data from freely-available sources, such as ChEMBL, the Protein Data Bank, and the Center for Therapeutic Target Validation platform are integrated into KinMap and can easily be complemented by proprietary data.
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Analyzing the topology of active sites: on the prediction of pockets and subpockets.
TL;DR: DoGSite, a new structure-based method to predict active sites in proteins based on a Difference of Gaussian (DoG) approach which originates from image processing, is presented, revealing a refined description of the topology of active sites.
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ProteinsPlus: a web portal for structure analysis of macromolecules.
Rainer Fährrolfes,Stefan Bietz,Florian Flachsenberg,Agnes Meyder,Eva Nittinger,Thomas Otto,Andrea Volkamer,Matthias Rarey +7 more
TL;DR: The ProteinsPlus web server is presented that offers a unified easy-to-use interface to a broad range of tools for the early phase of structure-based molecular modeling, including solutions for commonly required pre-processing tasks like structure quality assessment (EDIA), hydrogen placement (Protoss) and the search for alternative conformations (SIENA).