Friedrich Rippmann

I strongly believe in collaboration: I want to contribute to and benefit from the interaction and cross-fertilization of industrial and academic research.


Why I am here? I want to get a truly molecular understanding of disease, and devise molecular weapons to fight it. As these things are so small, one has to do it with the computer. This is what I always wanted to do. I love science, and I love people. So, I wanted to find drugs fighting disease. And this is what I do since I joined our company. Only pharmaceutical industry can do this, from concept to cure for patients. This is always exciting, always something new comes out, either through my work, or those of others. It can also be quite frustrating, when you find out, after years, that the approach taken eventually does not lead to significant life prolongation for the patients. But then there are already new promising approaches, waiting to be brought to the benefit of patients.

I strongly believe in collaboration: I want to contribute to and benefit from the interaction and cross-fertilization of industrial and academic research. In that regard it certainly helps that I am teaching at the university, And it was always a great pleasure to initiated a large number of publicly and Merck KGaA, Darmstadt, Germany funded collaborative research projects, on the national and European level. This certainly helped our company being at the forefront of a number of scientific developments. Several major software developments originated in the group, among them RELIBASE, a comprehensive database of protein-ligand complexes; and more recently DoGSite Scorer, a druggability prediction method & publicly accessible server; TRAPP, a webtool for analysis of transient binding pockets in proteins; and a panel of methods for selective kinase inhibitor generation. Currently I am working on digitizing many aspects of  early discovery research, including the integration into coherent workflows. Machine Learning, especially Deep Learning, and Artificial Intelligence are key aspects of this. And there is so much more to do: AI will not only alleviate us from the pain of boring, repetitive tasks, but also guarantee that nothing is overlooked, in large datasets, and complex relationships are identified, eventually presented to our researchers for high-level decisions, which AI will not be able to do, for a long time ahead. So, I am aiming at Assisted Intelligence, as a service to humans, not Artificial Intelligence.. 

I strongly believe in collaboration: I want to contribute to and benefit from the interaction and cross-fertilization of industrial and academic research.

Friedrich Rippmann

Head of Computational Chemistry & Biology


Joined Merck KGaA, Darmstadt, Germany: 1991

Key research fields and topics:

  • Drug Design
  • Druggability Analysis
  • Protein Flexibility
  • Predictive Models
  • Deep Learning
  • Artificial Intelligence

Prizes and awards:

  • Fellowship for "highly gifted scientific talents" / "Hochbegabten wissenschaftlichen Nachwuchs", awarded by (later Nobel Prize laureate) Prof. Harald zur Hausen, German Cancer Research Center

CV & Scientific activities

CV: Education

CV: Education


CV: Professional Career

CV: Professional Career

Director, Computational Chemistry & Biology, Merck KGaA, Darmstadt, Germany
 Head, Bio- and Chemoinformatics, Merck KGaA, Darmstadt, Germany
National Institute for Medical Research, MRC London
German Cancer Research Center, Heidelberg, Germany



  • Hecker,E., Rippmann,F. (1989) Assessment of environmental risk factors of cancer - are there indeed threshold doses? In: Current Cancer Research, Steinkopff Darmstadt, Springer New York, pp. 93-103; Bewertung von Krebsrisikofaktoren der Umwelt - Gibt es doch Schwellendosen? In: Krebsforschung heute, Steinkopff Verlag Darmstadt, pp. 95-106 
  • Rippmann,F. (1990) Hydrophobicity and tumor promoting activity of phorbol esters Quant. Struct.-Act. Relat. 9, 1-5 
  • Hecker,E., Rippmann,F. (1990) Outline of a descriptive general theory of environmental chemical cancerogenesis - Experimental threshold doses for tumor promoters in: Proceedings of the Conference "Mechanisms of Environmental Mutagenesis-Carcinogenesis" (Rhodos, Greece), Plenum Publishing Corporation, New York (1990), pp. 167-173 
  • Edler,L., Schmidt,R., Weber,E., Rippmann,F., Hecker,E. (1990) Biological assays for irritant, tumor initiating and -promoting activities III. Computer-assisted management and validation of biodata generated by standardized initiation/promotion protocols in skin of mice Canc. Res. Clin. Oncol., 117, 205-216 
  • Kopp,A., Portier,C.J., Rippmann,F. (1991) The number and size of detectable clones of initiated cells in the Damage- Fixation Two-Stage Model in initiation/promotion experiments Mathemat. Biosciences 105, 139-166 
  • Hecker,E., Hull,W.E., von der Lieth,C.W., Ponstingl,H., Reed,J., Rippmann,F., Suhai,S., Weber,E. (1990) Meeting Report, International Symposium Computer-assisted molecular modelling, Heidelberg June 1989 J. Canc. Res. Clin. Oncol., 116, p. 654-661 
  • Kraeusslich,H.G., Traenkner,A.M., Rippmann,F. (1991) Expression and characterization of genetically linked homo- and hetero-dimers of HIV proteinase Adv. Exp. Med. Biol., 306, p. 417-428 
  • Rippmann,F., Taylor,W.R. (1991) Visualization of structural similarity in proteins J. Molec. Graphics, 9, p. 169-174 
  • Rippmann,F., Taylor,W.R., Rothbard,J.B., Green,N.M. (1991) A hypothetical model for the peptide binding domain of hsp70 based on the peptide binding domain of HLA EMBO J., 10(5), p. 1053-1059 
  • Raddatz,P., Jonczyk,A., Minck,K.O., Rippmann,F., Schittenhelm,C., Schmitges,C.J. (1992) Renin inhibitors containing new P1-P1' dipeptide mimetics with heterocycles in P1' J. Med. Chem., 35, 3525-3536 
  • Dorsch, D., Raddatz, P., Schmitges, C.-J., von der Helm, K., Rippmann, F. (1993) HIV protease inhibitors - a promising new class of AIDS therapeutics Kontake (Darmstadt), 2, 48-56 
  • Diefenbach,B., Felding-Habermann,B., Jonczyk,A., Rippmann,F. (1993) Peptides from the second calcium binding domain of integrin chain alphaIIb inhibit fibrinogen binding to a alphaIIB/beta3 by direct interaction 
  • Biology of vitronectin and their receptors, p. 149-156 Preissner,K.T., Rosenblatt,S., Kost,C., Wegerhoff,J., Mosher,D.F., eds. Elsevier 
  • Raddatz, P., Minck, K.O., Rippmann, F., Schmitges, C.J. (1994) Non-peptide renin inhibitors containing 2-(((3-Phenylpropyl)phoshoryl)oxy)alkanoic acid moieties as P2-P3 replacements J. Med. Chem., 37, 486-497 
  • Rippmann, F., Boettcher, H. (1994) Molecular modeling of G protein-coupled receptors: A new approach to studying structure-activity relationships Kontake (Darmstadt), 1, 30-36 
  • Rippmann, F. (1994) Molecular modeling of G protein-coupled receptors: The ligand gives the clue Chem. Design Automat. News, 9, 26 
  • Konvalinka, J., Litterst, M.A., Freyaldenhoven, M.P., Welker, R., Kottler, H., Rippmann, F., Heuser, A.-M., Kraeusslich, H.-G. (1995) An active-site mutation in the human immunodeficiency virus type 1 proteinase (PR) causes reduced PR activity and loss of PR-mediated cytotoxicity without apparent effect on virus maturation and infectivity J. Virology, 69(11), 7180-7186 
  • Gante,J., Juraszyk,H., Raddatz,P., Wurziger,H., Bernotat-Danielowski,S., Melzer,G., Rippmann, F. (1995) New peptidomimetics in the chemistry of fibrinogen receptor antagonists Letters in Peptide Science, 2, 135-140 
  • Rippmann, F. (1996) Pride and prejudice and G protein-coupled receptor models in: Membrane Protein Models, J.B.C. Findlay (ed.), BIOS Scientific Publishers Ltd, Cambridge, UK 91-106 
  • Kuipers, W., Oliveira, L., Paiva, A.C.M., Rippmann, F., Sander, C., Vriend, G., IJzerman, A.P. (1996) Sequence-function correlation in G protein-coupled receptors in: Membrane Protein Models, J.B.C. Findlay (ed.), BIOS Scientific Publishers Ltd, Cambridge, UK 27-45 
  • Gante,J., Juraszyk,H., Raddatz,P., Wurziger,H., Bernotat-Danielowski,S., Melzer,G., Rippmann, F. (1996) New antithrombotic RGD-mimetics with high bioavailability Bioorganic & Medicinal Chemistry Letters, 6(20), 2425-2430 
  • Hendlich, M., Rippmann, F., Barnickel, G. (1997) BALI: Automatic assignment of bond and atom types for protein ligands in the Brookhaven Protein Databank J. Chem. Inf. Comput. Sci., 37(4), 774-778 
  • Bunjes, N., Schmidt, E.K., Jonczyk, A., Rippmann, F., Beyer, D., Ringsdorf, H., Graeber, P., Knoll, W., Naumann, R. (1997) Thiopeptide-supported lipid layers on solid substrates Langmuir, 13 (23), 6188 -6194 
  • Hendlich, M., Rippmann, F., Barnickel, G. (1997) LIGSITE: Automatic and efficient detection of potential small molecule-binding sites in proteins J. Molec. Graphics and Modelling, 15, 359-363 
  • Bywater, B., Gehring, J., Reinefeld, A., Rippmann, F., Weber, A. (1999) Metacomputing in practice: a distributed compute server for pharmaceutical industry Future Generation Computer Systems (15) 5-6 (1999) pp. 769-785 
  • Rippmann, F. New Technologies in Pharmaceutical Research / Neue Technologien in der Pharmaforschung euro-biotech 2000, p. 82-84, 1999 Same article also appeared in Aktive Wirtschaft Hessen 1999/2000, p. 65-66, 1999 
  • Heiss, N.S., Rippmann, F. (2001) Target-Gen bezogene pharmakogenetische Wirkstoffoptimierung in den praeklinischen Entwicklungsphasen eines Medikaments Medizinische Genetik, 13, 258-262 
  • Kah-Tong Seow, Jian-Ping Xiong, M. Amin Arnaout, Jutta Welge, Friedrich Rippmann and Simon L. Goodman Divalent cations and the relationship between A and A domains in integrins Biochemical Pharmacology, Vol. 64 (5-6) (2002) pp. 805-812 
  • Luca Toldo, Friedrich Rippmann Integrated bioinformatics application for automated target discovery Journal of the American Society for Information Science and Technology, 56(5), 2005, 483-492 
  • Stefan Henrich, Outi M. H. Salo-Ahen, Bingding Huang, Friedrich Rippmann, Gabriele Cruciani, and Rebecca C. Wade Computational approaches to identifying and characterizing protein binding sites for ligand design J. Mol. Recognit. (2009) 
  • Herhaus, C., Karch, O., Bremm, S., Rippmann, F. MolWind - Mapping molecule spaces to geospatial worlds Chemistry Central Journal, Volume 3, Issue SUPPL. 1, 2009, Article number P32
  • Haehnke, V., Rupp, M., Krier, M., Rippmann, F., Schneider, G. (2010)Pharmacophore Alignment Search Tool: Influence of Canonical Atom Labeling on Similarity SearchingJ Comput Chem 31: 2810–2826, 2010 
  • Hähnke V, Klenner A, Rippmann F, Schneider G. (2011)Pharmacophore alignment search tool: influence of the third dimension on text-based similarity searching.J Comput Chem. 2011 Jun;32(8):1618-34
  • Ahmed, A., Rippmann, F., Barnickel, G., Gohlke, H.(2011)A Normal Mode-Based Geometric Simulation Approach for Exploring Biologically Relevant Conformational Transitions in ProteinsJ. Chem. Inf. Model. 2011, 51, 1604–1622
  • Bailey D, Carpenter EP, Coker A, Coker S, Read J, Jones AT, Erskine P, Aguilar CF, Badasso M, Toldo L, Rippmann F, Sanz-Aparicio J, Albert A, Blundell TL, Roberts NB, Wood SP, Cooper JB (2012)An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinasesActa Crystallogr D Biol Crystallogr. 2012 May;68(Pt 5):541-52
  • Volkamer, A., Kuhn, D., Grombacher, T., Rippmann, F., Rarey, M. (2012)Combining Global and Local Measures for Structure-Based Druggability PredictionsJournal of Chemical Information and Modeling, 52(2):360-372.
  • Volkamer, A., Kuhn, D., Rippmann, F., Rarey, M. (2012)DoGSiteScorer: A web-server for automatic binding site prediction, analysis, and druggability assessmentBioinformatics, 28(15):2074-2075
  • Andrea Volkamer, Daniel Kuhn, Friedrich Rippmann, Matthias Rarey (2012)Predicting Enzymatic Function From Global Binding Site DescriptorsProteins 81, 3, 365-543
  • Matthias Wirth, Andrea Volkamer, Vincent Zoete, Friedrich Rippmann, Olivier Michielin, Matthias Rarey, and Wolfgang Sauer (2013)Protein pocket and ligand shape comparison and its application in virtual screeningJ Comput Aided Mol Des (2013) 27:511-524; DOI 10.1007/s10822-013-9659-1 
  • Daria B. Kokh, Stefan Richter, Stefan Henrich, Paul Czodrowski, Friedrich Rippmann, Rebecca C. Wade (2013)TRAPP: A Tool for Analysis of Transient Binding Pockets in ProteinsJ. Chem. Inf. Model., 2013, 53 (5), pp 1235-1252 DOI: 10.1021/ci4000294
  • Andrea Volkamer, Sameh Eid, Samo Turk, Sabrina Jaeger, Friedrich Rippmann, Simone Fulle (2015)Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug DiscoveryJournal of Chemical Information and Modeling 55(3): 538-549 (2015)
  • Andrea Volkamer, Sameh Eid, Samo Turk, Friedrich Rippmann, and Simone Fulle (2016)Identification and Visualization of Kinase-Specific SubpocketsJ. Chem. Inf. Model., 2016
  • Daria B. Kokh, Paul Czodrowski, Friedrich Rippmann, Rebecca C. Wade (2016)Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding PocketJ. Chem. Theory. Comput., 12:4100–4113 (doi.10.1021/acs.jctc.6b00101)
  • Benjamin Merget, Samo Turk, Sameh Eid, Friedrich Rippmann,Simone Fulle (2016)Profiling prediction of kinase inhibitors: toward the virtual assayJ. Med. Chem., 2017, 60 (1), pp 474-485; DOI: 10.1021/acs.jmedchem.6b01611
  • Sameh Eid, Samo Turk, Andrea Volkamer, Friedrich Rippmann and Simone Fulle (2017)KinMap: a web-based tool for interactive navigation through human kinome dataBMC Bioinformatics 201718:16 
  • Christina Schindler, Friedrich Rippmann, Daniel Kuhn (2017)Relative binding affinity prediction of farnesoid X receptor in the D3R Grand Challenge 2 using FEP+J Comput Aided Mol Des (2017). 
  • Samo Turk, Benjamin Merget, Friedrich Rippmann, Simone Fulle (2017)Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound OptimizationJ. Chem. Inf. Model., in press, 2017


  • Rippmann,F. (1987) Quantifizierung und Differenzierung der solitaerkarzinogenen Wirkung von DMBA und der tumorpromovierenden Wirkung von TPA, 3-TI und Simplexin im Modell der Maeusehaut Dissertation, Universitaet Heidelberg 
  • Rippmann,F., Roeser,H., Hecker,E. (1987) Comparison of the quantitative dose-response relationships in mouse skin of solitary carcinogenesis and initiation/promotion: a first example by 7,12-dimethylbenz(a)anthracene (DMBA) and 3-O-tetradecanoylingenol (3-TI) J. Canc. Res. Clin. Oncol., 113, Supp., 20 
  • Friesel,H., Rippmann,F., Schneider,T., Schoepe,K.B., Hecker,E. (1987) Quantitative comparison of tumorigenicity and DNA binding by 9,10- dimethylanthracene and 7,12-dimethylbenz(a)anthracene J. Canc. Res. Clin. Oncol., 113, 16 
  • Hecker,E., Rippmann,F. (1988) Quantitative determination of experimental threshold doses ("no- effect-levels") for environmental promoters in the initiation/promotion protocol on skin of NMRI-mice Naunyn-Schmiedeberg's Archives of Pharmacology, 338, Supp., R11 
  • Rippmann,F., Hecker,E. (1988) General quantitative dose/time(response) relationship for solitary cancerogenesis and initiation/promotion in skin of NMRI-mice and its implication for risk assessment Naunyn-Schmiedeberg's Archives of Pharmacology, 338, Supp., 86 
  • Rippmann,F., Hecker,E. (1989) Hydrophobicity and tumor promoting activity of phorbol esters J. Canc. Res. Clin. Oncol., 115, Supp., 88 
  • Rippmann,F. (1989) Which structural elements of phorbol esters are responsible for tumor promoting activity. A novel approach combining quantitative structure activity relationships and molecular modeling Computer-assisted molecular modeling, DKFZ Heidelberg 1.-3.6.1989, Book of Abstracts 
  • Hecker,E., Rippmann,F., Fujiki,H. (1990) Threshold doses for teleocidin and other environmental promoters of mouse skin (XV. International Cancer Congress Hamburg 16.-21.8.90), J. Canc. Res. Clin. Oncol., 116, Suppl., Part I, p. 99
  • Kopp,A., Portier,C.J., Rippmann,F. (1990) Estimating the rates in a two-stage model of carcinogenesis using data of an initiation/promotion experiment, XVth International Biometric Conference, Budapest, Book of Abstracts 
  • Kraeusslich,H.G., Faecke,M., Mergener,K., Rippmann,F. (1990) Expression and functional characterization of human immunodeficiency virus proteinase homo- and heterodimers Proceedings of the Proteinase-Workshop 1990, Los Angeles 
  • Friesel,H., Schmidt,R., Rippmann,F., Steinbauer,B., Hecker,E. (1991) Solitary cancerogenesis by 7,12-Dimethylbenz[a]anthracene (DMBA) in mouse epidermis: The influence of dose, dose-frequency and of the tumor promoter TPA J. J. Canc. Res. Clin. Oncol., 117, Suppl., K35 
  • Edler, L.; Schmidt, R.; Weber, E.; Rippmann, F.; Hecker, E. (1991) Computer-assisted management and biostatistical validation of standardized initiation/promotion mouse skin biodata J. Canc. Res. Clin. Oncol., 117, Supplement II: Abstracts of the international symposium on Skin Carcinogenesis in man and in experimental models. Heidelberg, 29–31 October 1991 (p S77: III P12)
  • Jonczyk,A., Felding-Habermann,B., Diefenbach,B., Rippmann,F. (1993) From peptides to adhesion inhibitors 2nd European Medicinal Chemistry Conference, Bad Nauheim 31.3.-3.4.1993, Book of Abstracts 
  • Boettcher,H., Barnickel, G., Rippmann,F., Greiner,H., Seyfried,C.A. (1994) Towards a molecular understanding of creating selectivity in indolealkylamines XIIIth International Symposium on Medicinal Chemistry, Paris 19.-23.9.1994 
  • Jonczyk,A., Diefenbach,B., Goodman,S., Rippmann,F. (1994) Peptidic cell adhesion inhibitors Cell Adhesion meeting, Schliersee 26.-28.10.1994 
  • Konvalinka, J., Kottler, H., Rippmann, F., Kraeusslich, H.-G. (1994) Analysis of temperature-sensitive mutants of HIV-1 proteinase J. Cell. Biochemistry, S18D, 169, 1994 
  • Rippmann,F., Diefenbach,B., Goodman,S., Jonczyk,A. (1995) Non-RGD peptides rationally derived from the C-terminus of echistatin are potent inhibitors of the integrin GPIIb/IIIA Protein Society Meeting, Davos, 28.5.-1.6.95 Protein Sci., 4, Suppl. 1, 82, 1995 
  • Rippmann,F., Boettcher,H., Barnickel, G., Greiner,H.E., Seyfried,C.A. (1995) Molecular modeling of G protein-coupled receptors: A useful approach to SAR studies of selected 5-HT1A/D2-Agonists 9th Molecular Modeling Workshop, Darmstadt, 23-24.5.1995 
  • J.Mol.Model., 1, 79-122, 1995 Hendlich,M., Rippmann,F., Barnickel,G. (1995) Development of a receptor-ligand database 9th Molecular Modeling Workshop, Darmstadt, 23-24.5.1995 J.Mol.Model., 1, ??-??, 1995 
  • Sutter,A., Goodman,S., Jonczyk,A., Rippmann,F., Carceller,A., Mitjans,F., Kessler,H., Cheresh,D. (1995) Cyclic RGD peptides with high selectivity for alpha-v integrins as potent inhibitors of angiogenesis and tumor growth Gordon Conference on Angiogenesis, August 1995 
  • Aberer,K., Barnickel,G., Boehm,H.J., Hemm,K., Hendlich,M., Klebe,G., Kramer,B., Lemmen,C., Lengauer,T., Mietzner,T., Rarey,M., Rippmann,F., Sander,C., Vriend,G. Berechnung und Vorhersage von Rezeptor-Ligand-Wechselwirkungen Statusseminar des BMBF Bioinformatik, Braunschweig 7.-8.11.1995 Proceedings, 27-52, 1996 
  • Goodman,S.L., Diefenbach,B., Sutter,A., Rippmann,F., Mitjans,F., Cheresh,D.A., Kessler,H., Jonczyk,A. (1996) Keystone conference on Integrins and signaling events in cell biology and disease, 5.-11.1.1996 
  • Hendlich,M., Rippmann,F., Barnickel,G., Hemm,K., Aberer,K. (1996) RELIBase - An object-oriented comprehensive receptor-ligand database 211th American Chemical Society National Meeting, New Orleans, Abstr. Papers Am. Chem. Soc 211 (1996), p. 49 
  • Hendlich,M., Rippmann,F., Barnickel,G., Hemm,K., Aberer,K. (1996) RELIBase - an object-oriented comprehensive receptor-ligand database The XVII Congress of the International Union of Crystallography, Seattle, 8.-17.8.1996, Abstract S0528 
  • Jonczyk,A., Felding-Habermann,B., Rippmann,F., Diefenbach,B. (1996) Novel non-RGD inhibitors of integrin alphaIIbbeta3 derived from Echistatin 24th European Peptide Symposium, Edinburgh, 8.-13.9.1996 
  • Jonczyk,A., Felding-Habermann,B., Kessler,H., Rippmann,F., Diefenbach,B., Goodman,S.L. (1996) Importance of glycine in cyclic RGD-peptides for inhibition of integrins 24th European Peptide Symposium, Edinburgh, 8.-13.9.1996 
  • Hendlich,M., Rippmann,F., Barnickel,G., Hemm,K., Aberer,K. (1996) ReLiBase - an object-oriented comprehensive receptor/ligand database COMPUTER SCIENCE AND BIOLOGY, German Conference on Bioinformatics, Leipzig, 30.9.-2.10.1996 
  • Hendlich,M., Rippmann,F., Barnickel,G., Hemm,K., Aberer,K. (1996) RELIBase - an object-oriented comprehensive receptor-ligand database BIOINFORMATICS<-->STRUCTURE, Jerusalem, 17.-21.11.1996 
  • Gante, J.; Juraszyk, H.; Wurziger, H.; Bernotat-Danielowski, S.; Raddatz, P.; Haunschild, J.; Melzer, G.; Rippmann, F. A new class of antithrombotic adhesion receptor antagonists 36th IUPAC Congress, Geneva, 17-22.8.1997, Abstract MC-B13 
  • Mevissen, T.; Rippmann, F.; Zimmer,R.; Lengauer, T. (1999) Large Scale Genome Annotation with 123D using Multiprocessor Machines 7th International Conference on Intelligent Systems in Molecular Biology, Heidelberg, 6.-10.8.1999, Book of abstracts (poster 98)
  • Ahmed,A; Arnaout,MA; Goodman,S.; Rippmann,F.; Gohlke,H. (2007) Multi-scale modelling of macromolecular conformational changes Methods of Molecular Simulation 2007, 24. - 26.9.2007, Heidelberg Abstract text
  • Karch,O.; Herhaus,C.; Bremm,S.; Rippmann,F. (2009)Molwind - Mapping Molecule Spaces to Geospatial WorldsChemistry Central Journal 2009, 3(Suppl 1):P32 


  1. Die Berechnung von Schwellendosen fuer Diterpenester-Promotoren - Ein Beitrag zur Abschaetzung des Krebsrisikos durch quantitative Dosis- Wirkungsbeziehungen DKFZ-Seminar, 8.12.1987 
  2. Zur cocarcinogenen Wirkung von Diterpenestern und Indolalkaloiden: Berechnung und Vergleich der Ladungsverteilung von Phorbol, Ingenol und Teleocidin Molecular Modeling Workshop 1988, Darmstadt, 10.5.1988 
  3. Evidence for threshold doses for tumor promotion by quantitative dose-time- response relationships International Agency for Research on Cancer, Lyon, 12.12.1988 
  4. Visualization of structural alignments of proteins Mathematical Biology Meeting, London, 26.6.90 
  5. Modelling of the heat shock protein peptide-binding domain European Molecular Biology Laboratory, Heidelberg, 5.12.1990 
  6. Molecular modelling of serotonin receptors 1st 7TM Meeting, European Molecular Biology Laboratory, Heidelberg, 13.2.1993 
  7. Molecular Modelling am Beispiel von HIV-Protease-Inhibitoren Pharmazeutisches Seminar "Ein Treffpunkt industrieller und universitaerer Forschung", Inst. f. Pharmazeutische Chemie, Johann Wolfgang Goethe-Universitaet Frankfurt, 6.5.1993 
  8. Molecular modelling of serotonin and dopamine receptors 2nd 7TM Meeting, European Molecular Biology Laboratory, Heidelberg, 1.10.1993 
  9. Proteinstrukturvorhersage - Von der eindimensionalen Sequenz zur dreidimensionalen Struktur Seminarvortrag, Max-Planck-Institut fuer Haemostaseforschung, Bad Nauheim, 9.11.1993 
  10. Molecular modeling of G protein-coupled receptors: The ligand gives the clue University College London, 25.3.1994 
  11. Molecular modeling of G protein-coupled receptors: The ligand gives the clue Meeting on "Membrane protein models: Theory, experiment, and speculation", Leeds, 28.-30.3.1994 
  12. Protein structure prediction: Molecular modeling of G protein-coupled receptors Gesellschaft fuer Mathematik und Datenverarbeitung, Bonn/St. Augustin, 26.5.1994 
  13. Is bacteriorhodopsin a valid template for the modelling of G protein-coupled receptors? 3rd 7TM Meeting, European Molecular Biology Laboratory, Heidelberg, 12.8.94 
  14. Program FlexX: Docking of flexible ligands into receptor sites 4th 7TM Meeting, European Molecular Biology Laboratory, Heidelberg, 20.-21.1.1995 
  15. Proteinstrukturvorhersage - Von der eindimensionalen Sequenz zur dreidimensionalen Struktur Biologisches Kolloquium, Fachbereich Biologie TH Darmstadt, 9.2.1995 
  16. Von Schlangengiften, Cyclopeptiden und kleinen Molekuelen - Ueber die strukturbasierte Entwicklung von Adhaesionsrezeptor-Inhibitoren Hauptvortrag beim GDCh-Meeting "Vom Protein zum niedermolekularen Wirkstoff", Kaiserslautern 16.-17.3.1995 
  17. HIV-Protease-Inhibitoren als Beispiel der Anwendung von Molecular Modelling Methoden Vortrag im Rahmen der Vorlesung von Prof. Schreckenbach, TH Darmstadt, 14.5.95 
  18. Bioinformatik Biochemie-Seminar Merck KGaA, Darmstadt, Germany/THD "Genomanalyse: Stand, Methoden, Perspektiven", Darmstadt 19.-20.10.1995 
  19. Industrial Benchmarking and Capability Demonstration Results from the MaxHom Project New Frontiers in Computational Chemistry: Impact of Parallel Computing on the Chemical and Pharmaceutical Industry, Le Bischenberg, Strasbourg, 28.-29.11.1995 
  20. Optimisation of Critical Components of the Drug Discovery Process Chain: From Targets to Drugs IIR Meeting: Understanding and Exploiting Bioinformatics for Drug Discovery and Development London, 27.-28.2.1997 
  21. Are G protein-coupled receptors functional dimers?: Clues from bivalent ligands and model building 6th 7TM Meeting, European Molecular Biology Laboratory, Heidelberg, 7.-9.3.1997 
  22. Current limitations in bioinformatics IBC Meeting: INFOTECH pharma, London 27.-29.1.1998 
  23. Was bringt das Humane Genom Projekt fuer die Pharmaforschung? Pharmazeutisches Kolloquium, Universitaet Marburg, 30.11.1998 
  24. Industrial Bioinformatics Mathematical Biology Meeting, Natl. Institute for Medical Research, London, 12.2.1999 
  25. Multi-processor protein structure threading with ToPLign HPCN Experiences in Biotechnology, DECHEMA, Frankfurt, 17.2.1999 
  26. Die Rolle der Bioinformatik in der pharmazeutischen Forschung Life Sciences 2000, Universitaet Giessen, 19.11.99 
  27. Application of protein structural information in drug discovery Meeting on Protein Structure and Visualisation UNIC, Danish Technical University, Lyngby, 23.05.2000 
  28. The role of bio- and chemoinformatics in pharmaceutical research German Cancer Research Center, Heidelberg, 19.6.2001 
  29. The Dynamic Drug Discovery Process and its Need for Sophisticated IT-Support EXIST-Meeting, Lyon 31.07.2001
  30. Was bringt das Humane Genom Projekt für die Pharmaforschung? University of Kiel, Faculty of Pharmacy, Heidelberg, 4.12.2001 
  31. Von der Sequenz ueber die Proteinstruktur bis zum Wirkmolekuel: Der Beitrag von Bioinformatik und Drug Design zur Wirkstoffindung Biochemie-Seminar Merck KGaA, Darmstadt, Germany/TU Darmstadt, 18.2.2002 
  32. Industrial Needs for Mathematics Research BMBF-Programm "Mathematik in der Industrie", Bonn, 24.6.2002 Vom Genom zum Wirkstoff Biochemie-Seminar Merck KGaA, Darmstadt, Germany/TU Darmstadt, 16.1.2003, 26.1.2004, 21.1.2005 
  33. Industrial Bio- and Chemoinformatics Bioinformatics Colloquium, European Media Lab, Heidelberg, 15.7.2004 
  34. Industrial Bioinformatics - Current Informatics Challenges Colloquium on Algorithmical Foundations of Bioinformatics, Department of Computer Science, ETH Zuerich, 11.1.2005 
  35. Automatic text mining and knowledge generation applications in Preclinical R&D at Merck KGaA, Darmstadt, Germany, Fachhochschule Darmstadt, 20-Jahr-Feier des FB Informations- und Wissensmanagement, Dieburg, 10.11.2005 
  36. Vom Genom zum Wirkstoff - Der Beitrag von Bioinformatik und Chemoinformatik zur Wirkstoffindung Biochemie-Seminar Merck KGaA, Darmstadt, Germany/TU Darmstadt, 26.1.2006 
  37. Industrial Bio- and Chemoinformatics Seminarreihe Bioinformatik, Universität Hamburg, 2.11.2006 
  38. Pharmaceutical industry needs for mathematics research OECD-GSF Workshop on Mathematics in Industry, Heidelberg 22.-24.3.07 
  39. High-Performance Computing: the example of Merck KGaA, Darmstadt, Germany Serono Forum Ter@Tec 2009, SUPELEC, Paris, 1.7.09
  40. Computational druggability assessment of protein pockets, including transient ligand binding sitesInternational Drug Discovery Science & Technology (IDDST), Nanjing, China, 2012
  41. Computational druggability assessment of protein pockets, and the identification of transient ligand binding sitesCCGUGM, Strasbourg, 2014
  42. Computational Drug Discovery in OncologyDKFZ Alumni Meeting, 2014
  43. Automated Druggability Assessment for Target Prioritization16th Drug Discovery Summit, Berlin, 8.-9.6.2015
  44. Better, faster, easier: streamlining computational drug discovery at Merck KGaA, Darmstadt, Germany International Symposium on Streamlining Drug Discovery, Basel, Switzerland, 22.09.2016


  1. ( USPTO 5,705,481) Cyclopeptides 
  2. ( USPTO 5,747,457) Linear adhesion inhibitors 
  3. ( USPTO 5,849,692) Cyclic peptides containing Arg-Gly-Asp, and derivatives thereof, as adhesion inhibitors 
  4. ( USPTO 6,169,072) Cyclic adhesion inhibitors 
  6. (WO 98/35949; USPTO 6,559,144) BICYCLIC AMINO ACIDS 
  7. (DE19941606 A) Verfahren zum Ermitteln von Nuklein- und/oder Aminosäuresequenzen 
  8. (EP 00106581.2/WO 01/73015 A1; USPTO 20030069398) Identification of new human GABA transporter 
  9. Novel global targeting for inhibiting the activation of and ligand binding to non-alpha-a domain integrins 




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