DOGS: Reaction-Driven de novo Design of Bioactive Compounds M Hartenfeller, H Zettl, M Walter, M Rupp, F Reisen, E Proschak, ... PLoS Computational Biology 8 (2), e1002380, 2012 | 270 | 2012 |
De novo drug design M Hartenfeller, G Schneider Methods Mol Biol 672, 299-323, 2011 | 198 | 2011 |
A Collection of Robust Organic Synthesis Reactions for In Silico Molecule Design M Hartenfeller, M Eberle, P Meier, C Nieto-Oberhuber, KH Altmann, ... Journal of chemical information and modeling 51 (12), 3093-3098, 2011 | 147 | 2011 |
Enabling future drug discovery by de novo design M Hartenfeller, G Schneider Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 742-759, 2011 | 115 | 2011 |
Voyages to the (un) known: adaptive design of bioactive compounds G Schneider, M Hartenfeller, M Reutlinger, Y Tanrikulu, E Proschak, ... Trends in Biotechnology 27 (1), 18-26, 2009 | 101 | 2009 |
Concept of Combinatorial De Novo Design of Drug‐like Molecules by Particle Swarm Optimization M Hartenfeller, E Proschak, A Schüller, G Schneider Chemical Biology & Drug Design 72 (1), 16-26, 2008 | 100 | 2008 |
Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors G Schneider, T Geppert, M Hartenfeller, F Reisen, A Klenner, ... Future medicinal chemistry 3 (4), 415-424, 2011 | 47 | 2011 |
Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building Blocks M Hartenfeller, M Eberle, P Meier, C Nieto-Oberhuber, KH Altmann, ... Journal of chemical information and modeling 52 (5), 1167-1178, 2012 | 45 | 2012 |
Concepts and Applications of Natural Computing Techniques in De Novo Drug and Peptide Design J A Hiss, M Hartenfeller, G Schneider Current Pharmaceutical Design 16 (15), 1656-1665, 2010 | 44 | 2010 |
Drugs by Numbers: Reaction‐Driven De Novo Design of Potent and Selective Anticancer Leads B Spänkuch, S Keppner, L Lange, T Rodrigues, H Zettl, CP Koch, ... Angewandte Chemie International Edition 52 (17), 4676-4681, 2013 | 31 | 2013 |
‘Fuzziness’ in pharmacophore-based virtual screening and de novo design A Klenner, M Hartenfeller, P Schneider, G Schneider Drug Discovery Today: Technologies 7 (4), e237-e244, 2010 | 27 | 2010 |
Multistep Virtual Screening for Rapid and Efficient Identification of Non‐Nucleoside Bacterial Thymidine Kinase Inhibitors J Zander, M Hartenfeller, V Hähnke, E Proschak, S Besier, TA Wichelhaus, ... Chemistry-A European Journal 16 (31), 9630-9637, 2010 | 12 | 2010 |
Reaction‐Driven De Novo Design: a Keystone for Automated Design of Target Family‐Oriented Libraries M Hartenfeller, S Renner, E Jacoby De novo Molecular Design, 245-266, 2013 | 10 | 2013 |
Repurposing de novo designed entities reveals phosphodiesterase 3B and cathepsin L modulators T Rodrigues, YC Lin, M Hartenfeller, S Renner, YF Lim, G Schneider Chemical Communications 51 (35), 7478-7481, 2015 | 8 | 2015 |
De novo Drug Design G Schneider, M Hartenfeller, E Proschak Lead Generation Approaches in Drug Discovery, 165-185, 2010 | 7 | 2010 |
Consolidated BRCA1/2 Variant Interpretation by MH BRCA Correlates with Predicted PARP Inhibitor Efficacy Association by MH Guide Y Hirotsu, U Schmidt-Edelkraut, H Nakagomi, I Sakamoto, M Hartenfeller, ... International Journal of Molecular Sciences 21 (11), 3895, 2020 | 6 | 2020 |
Wirkstoffe nach Zahlen: reaktionsbasierter De‐novo‐Entwurf von potenten und selektiven Leitstrukturen für die Krebsforschung B Spänkuch, S Keppner, L Lange, T Rodrigues, H Zettl, CP Koch, ... Angewandte Chemie 125 (17), 4774-4779, 2013 | 5 | 2013 |
Development of a computational method for reaction-driven de novo design of druglike compounds M Hartenfeller Frankfurt (Main), Univ., Diss., 2011, 2010 | 5 | 2010 |
BRCA variant classification of ClinVar submitter content from ENIGMA, ARUP laboratories and German cancer consortium compared to MH BRCA® and correlation with response to PARP … K Stecker, U Schmidt-Edelkraut, J El Hokayem, M Hartenfeller, F Diella, ... European Journal of Cancer 138, S77, 2020 | 1 | 2020 |
Germline variants classification using bioinformatic tools for next generation sequencing-based classification J El Hokayem, U Schmidt-Edelkraut, A Werner, M Maerz, X Wang, ... EUROPEAN JOURNAL OF HUMAN GENETICS 27, 1689-1689, 2019 | | 2019 |