Andrea Volkamer

ORCID

Publication Activity (10 Years)

Years Active: 2010-2024
Publications (10 Years): 19

Top Venues

University of Hamburg (PHD)

Education History

University of Hamburg

PHD

Publications

Michael Backenköhler, Joschka Groß, Verena Wolf, Andrea Volkamer
Guided Docking as a Data Generation Approach Facilitates Structure-Based Machine Learning on Kinases. J. Chem. Inf. Model. 64 (10) (2024)
Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer
Transformers for molecular property prediction: Lessons learned from the past five years. CoRR (2024)
Dominique Sydow, Jaime Rodríguez-Guerra, Andrea Volkamer
OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database. J. Open Source Softw. 7 (69) (2022)
Dominique Sydow, Eva Aßmann, Albert J. Kooistra, Friedrich Rippmann, Andrea Volkamer
KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome. J. Chem. Inf. Model. 62 (10) (2022)
Dominique Sydow, Jaime Rodríguez-Guerra, Talia B. Kimber, David Schaller, Corey J. Taylor, Yonghui Chen, Mareike Leja, Sakshi Misra, Michele Wichmann, Armin Ariamajd, Andrea Volkamer
TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research. Nucleic Acids Res. 50 (W1) (2022)
Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, Niharika Gauraha, Ulf Norinder, Ola Spjuth, Andrea Volkamer
Assessing the calibration in toxicological in vitro models with conformal prediction. J. Cheminformatics 13 (1) (2021)
Marina Garcia de Lomana, Andrea Morger, Ulf Norinder, Roland Buesen, Robert Landsiedel, Andrea Volkamer, Johannes Kirchmair, Miriam Mathea
ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities. J. Chem. Inf. Model. 61 (7) (2021)
Steven K. Albanese, John D. Chodera, Andrea Volkamer, Simon Keng, Robert Abel, Lingle Wang
Is Structure-Based Drug Design Ready for Selectivity Optimization? J. Chem. Inf. Model. 60 (12) (2020)
Dominique Sydow, Paula Schmiel, Jérémie Mortier, Andrea Volkamer
KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination. J. Chem. Inf. Model. 60 (12) (2020)
Henry E. Webel, Talia B. Kimber, Silke Radetzki, Martin Neuenschwander, Marc Nazaré, Andrea Volkamer
Revealing cytotoxic substructures in molecules using deep learning. J. Comput. Aided Mol. Des. 34 (7) (2020)
Andrea Morger, Miriam Mathea, Janosch Achenbach, Antje Wolf, Roland Buesen, Klaus-Jürgen Schleifer, Robert Landsiedel, Andrea Volkamer
KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development. J. Cheminformatics 12 (1) (2020)
Dominique Sydow, Lindsey Burggraaff, Angelika Szengel, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen, Andrea Volkamer
Advances and Challenges in Computational Target Prediction. J. Chem. Inf. Model. 59 (5) (2019)
Dominique Sydow, Andrea Morger, Maximilian Driller, Andrea Volkamer
TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data. J. Cheminformatics 11 (1) (2019)
Dominique Sydow, Michele Wichmann, Jaime Rodríguez-Guerra, Daria Goldmann, Gregory A. Landrum, Andrea Volkamer
TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows. J. Chem. Inf. Model. 59 (10) (2019)
Andrea Volkamer, Sereina Riniker
Transition from Academia to Industry and Back. J. Chem. Inf. Model. 58 (8) (2018)
Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Thomas Otto, Andrea Volkamer, Matthias Rarey
ProteinsPlus: a web portal for structure analysis of macromolecules. Nucleic Acids Res. 45 (Webserver-Issue) (2017)
Sameh Eid, Samo Turk, Andrea Volkamer, Friedrich Rippmann, Simone Fulle
KinMap: a web-based tool for interactive navigation through human kinome data. BMC Bioinform. 18 (1) (2017)
Andrea Volkamer, Sameh Eid, Samo Turk, Friedrich Rippmann, Simone Fulle
Identification and Visualization of Kinase-Specific Subpockets. J. Chem. Inf. Model. 56 (2) (2016)
Andrea Volkamer, Sameh Eid, Samo Turk, Sabrina Jaeger, Friedrich Rippmann, Simone Fulle
Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug Discovery. J. Chem. Inf. Model. 55 (3) (2015)
Matthias Wirth, Andrea Volkamer, Vincent Zoete, Friedrich Rippmann, Olivier Michielin, Matthias Rarey, Wolfgang H. B. Sauer
Protein pocket and ligand shape comparison and its application in virtual screening. J. Comput. Aided Mol. Des. 27 (6) (2013)
Mathias M. von Behren, Andrea Volkamer, Angela M. Henzler, Karen Schomburg, Sascha Urbaczek, Matthias Rarey
Fast Protein Binding Site Comparison via an Index-Based Screening Technology. J. Chem. Inf. Model. 53 (2) (2013)
Andrea Volkamer, Daniel Kuhn, Thomas Grombacher, Friedrich Rippmann, Matthias Rarey
Combining Global and Local Measures for Structure-Based Druggability Predictions. J. Chem. Inf. Model. 52 (2) (2012)
Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, Matthias Rarey
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment. Bioinform. 28 (15) (2012)
Hans-Christian Ehrlich, Andrea Volkamer, Matthias Rarey
Searching for Substructures in Fragment Spaces. J. Chem. Inf. Model. 52 (12) (2012)
Andrea Volkamer, Axel Griewel, Thomas Grombacher, Matthias Rarey
Analyzing the Topology of Active Sites: On the Prediction of Pockets and Subpockets. J. Chem. Inf. Model. 50 (11) (2010)
Andrea Volkamer, Thomas Grombacher, Matthias Rarey
Where are the boundaries? Automated pocket detection for druggability studies. J. Cheminformatics 2 (S-1) (2010)

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Publication Activity (10 Years)

Top Topics

Top Venues

Andrea Volkamer