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Andrea Volkamer
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Combining global and local measures for structure-based druggability predictions
A Volkamer, D Kuhn, T Grombacher, F Rippmann, M Rarey
Journal of chemical information and modeling 52 (2), 360-372, 2012
4572012
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment
A Volkamer, D Kuhn, F Rippmann, M Rarey
Bioinformatics 28 (15), 2074-2075, 2012
4552012
KinMap: a web-based tool for interactive navigation through human kinome data
S Eid, S Turk, A Volkamer, F Rippmann, S Fulle
BMC bioinformatics 18, 1-6, 2017
2612017
Analyzing the topology of active sites: on the prediction of pockets and subpockets
A Volkamer, A Griewel, T Grombacher, M Rarey
Journal of chemical information and modeling 50 (11), 2041-2052, 2010
2372010
ProteinsPlus: a web portal for structure analysis of macromolecules
R Fährrolfes, S Bietz, F Flachsenberg, A Meyder, E Nittinger, T Otto, ...
Nucleic acids research 45 (W1), W337-W343, 2017
1982017
Deep Learning in Virtual Screening: Recent Applications and Developments
TB Kimber, Y Chen, A Volkamer
International Journal of Molecular Sciences 22 (9), 4435, 2021
1142021
Advances and challenges in computational target prediction
D Sydow, L Burggraaff, A Szengel, HWT van Vlijmen, AP IJzerman, ...
Journal of chemical information and modeling 59 (5), 1728-1742, 2019
962019
TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data
D Sydow, A Morger, M Driller, A Volkamer
Journal of cheminformatics 11 (1), 1-7, 2019
522019
Revealing cytotoxic substructures in molecules using deep learning
HE Webel, TB Kimber, S Radetzki, M Neuenschwander, M Nazaré, ...
Journal of computer-aided molecular design 34 (7), 731-746, 2020
412020
Pocketome of human kinases: prioritizing the ATP binding sites of (yet) untapped protein kinases for drug discovery
A Volkamer, S Eid, S Turk, S Jaeger, F Rippmann, S Fulle
Journal of chemical information and modeling 55 (3), 538-549, 2015
412015
Truly target-focused pharmacophore modeling: a novel tool for mapping intermolecular surfaces
J Mortier, P Dhakal, A Volkamer
Molecules 23 (8), 1959, 2018
402018
Protein pocket and ligand shape comparison and its application in virtual screening
M Wirth, A Volkamer, V Zoete, F Rippmann, O Michielin, M Rarey, ...
Journal of computer-aided molecular design 27, 511-524, 2013
332013
Open science discovery of oral non-covalent SARS-CoV-2 main protease inhibitor therapeutics
H Achdout, A Aimon, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, ...
bioRxiv, 2020.10. 29.339317, 2021
322021
Is Structure-Based Drug Design Ready for Selectivity Optimization?
SK Albanese, JD Chodera, A Volkamer, S Keng, R Abel, L Wang
Journal of Chemical Information and Modeling 60 (12), 6211-6227, 2020
312020
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods …
S Ackloo, R Al-awar, RE Amaro, CH Arrowsmith, H Azevedo, RA Batey, ...
Nature Reviews Chemistry 6 (4), 287-295, 2022
302022
MEN1 mutations mediate clinical resistance to menin inhibition
F Perner, EM Stein, DV Wenge, S Singh, J Kim, A Apazidis, ...
Nature 615 (7954), 913-919, 2023
292023
Kinase-centric computational drug development
AJ Kooistra, A Volkamer
Annual Reports in Medicinal Chemistry 50, 197-236, 2017
292017
Exploiting structural information for drug-target assessment
A Volkamer, M Rarey
Future medicinal chemistry 6 (3), 319-331, 2014
282014
Fast protein binding site comparison via an index-based screening technology
MM von Behren, A Volkamer, AM Henzler, KT Schomburg, S Urbaczek, ...
Journal of chemical information and modeling 53 (2), 411-422, 2013
272013
Identification and visualization of kinase-specific subpockets
A Volkamer, S Eid, S Turk, F Rippmann, S Fulle
Journal of chemical information and modeling 56 (2), 335-346, 2016
242016
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Articles 1–20