default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDAndrea Volkamer
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2020 – today
- 2024
[j26]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): 4009-4020 (2024)- [j25]Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer:
Transformers for Molecular Property Prediction: Lessons Learned from the Past Five Years. J. Chem. Inf. Model. 64(16): 6259-6280 (2024) - [i1]Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer:
Transformers for molecular property prediction: Lessons learned from the past five years. CoRR abs/2404.03969 (2024) - 2022
- [j24]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): 2600-2616 (2022) - [j23]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): 3951 (2022) - [j22]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): 753-760 (2022) - 2021
- [j21]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): 35 (2021) - [j20]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): 3255-3272 (2021) - 2020
- [j19]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): 731-746 (2020) - [j18]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): 24 (2020) - [j17]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): 6081-6094 (2020) - [j16]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): 6211-6227 (2020)
2010 – 2019
- 2019
- [j15]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): 29:1-29:7 (2019) - [j14]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): 1728-1742 (2019) - [j13]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): 4083-4086 (2019) - 2018
- [j12]Andrea Volkamer, Sereina Riniker:
Transition from Academia to Industry and Back. J. Chem. Inf. Model. 58(8): 1469-1472 (2018) - 2017
- [j11]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): 16:1-16:6 (2017) - [j10]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): W337-W343 (2017) - 2016
- [j9]Andrea Volkamer, Sameh Eid, Samo Turk, Friedrich Rippmann, Simone Fulle:
Identification and Visualization of Kinase-Specific Subpockets. J. Chem. Inf. Model. 56(2): 335-346 (2016) - 2015
- [j8]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): 538-549 (2015) - 2013
- [b1]Andrea Volkamer:
COMPASITES - Computer-aided active site analysis of protein structures. University of Hamburg, 2013 - [j7]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): 511-524 (2013) - [j6]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): 411-422 (2013) - 2012
- [j5]Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, Matthias Rarey:
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment. Bioinform. 28(15): 2074-2075 (2012) - [j4]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): 360-372 (2012) - [j3]Hans-Christian Ehrlich, Andrea Volkamer, Matthias Rarey:
Searching for Substructures in Fragment Spaces. J. Chem. Inf. Model. 52(12): 3181-3189 (2012) - 2010
- [j2]Andrea Volkamer, Thomas Grombacher, Matthias Rarey:
Where are the boundaries? Automated pocket detection for druggability studies. J. Cheminformatics 2(S-1): 11 (2010) - [j1]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): 2041-2052 (2010)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-09-21 23:40 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
