| Hydrogen/deuterium-isotope effects on NMR chemical shifts and symmetry of homoconjugated hydrogen-bonded ions in polar solution P Schah-Mohammedi, IG Shenderovich, C Detering, HH Limbach, ... Journal of the American Chemical Society 122 (51), 12878-12879, 2000 | 108 | 2000 |
| Validation of automated docking programs for docking and database screening against RNA drug targets C Detering, G Varani Journal of medicinal chemistry 47 (17), 4188-4201, 2004 | 104 | 2004 |
| Vicinal H/D isotope effects in NMR spectra of complexes with coupled hydrogen bonds: Phosphoric acids C Detering, PM Tolstoy, NS Golubev, GS Denisov, HH Limbach Doklady Physical Chemistry 379, 191-193, 2001 | 49 | 2001 |
| Dynamic NMR studies of base-catalyzed intramolecular single vs. intermolecular double proton transfer of 1, 3-bis (4-fluorophenyl) triazene HH Limbach, F Männle, C Detering, GS Denisov Chemical physics 319 (1-3), 69-92, 2005 | 37 | 2005 |
| Identification of the optimal third generation antifolate against P. falciparum and P. vivax SY Hunt, C Detering, G Varani, DP Jacobus, GA Schiehser, HM Shieh, ... Molecular and biochemical parasitology 144 (2), 198-205, 2005 | 31 | 2005 |
| H/D isotope effects on NMR chemical shifts of nuclei involved in a hydrogen bridge of hydrogen isocyanide complexes with fluoride anion NS Golubev, C Detering, SN Smirnov, IG Shenderovich, GS Denisov, ... Physical Chemistry Chemical Physics 11 (25), 5154-5159, 2009 | 19 | 2009 |
| KnowledgeSpace-a publicly available virtual chemistry space C Detering, H Claussen, M Gastreich, C Lemmen Journal of Cheminformatics 2 (Suppl 1), O9, 2010 | 16 | 2010 |
| Hydrogen/deuterium isotope effects on NMR chemical shifts of formally symmetric complexes with a strong intermolecular hydrogen bond in liquid solutions at 100–150 K P Schah-Mohammedi, IG Shenderovich, C Detering, HH Limbach, ... J. Am. Chem. Soc 122, 12878-12879, 2000 | 4 | 2000 |
| CINF 112 - Setting up a discovery pipeline in KNIME and PipelinePilot: High-throughput de novo design utilizing gigantic virtual chemistry spaces C Detering ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | 1 | 2013 |
| COMP 84-Recore: Instant 3-D scaffold hopping using replacement fragments C Lemmen, C Detering, M Gastreich, PR Oledzki ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236, 2008 | 1 | 2008 |
| Advantages of deep sea fishing compared to fishing in a pond Y Moroz, C Lemmen, O Savych, C Detering, F Klingler ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Going beyond REALspace: Synthetic access to the chemical universe C Detering ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Halide Bonds in Drug Discovery: Really that important? C Detering ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| New N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dually active MAO-A/B inhibitors with BBB and GI permeability M Gastreich, C Detering, L Antonov, S Hristova, HG Stammler, N Tzvetkov ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Docking-old hat or hats off C Lemmen, C Detering, M Gastreich ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Hyperspace, warp speed and time warp: Searching the chemical universe at ludicrous speed C Detering ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| CINF 18: Gravitational waves shaking the chemical universe: virtual chemistry 2.0 C Detering ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| COMP 25: Compound evolution taken by STORM: First ideas turn into genuine possibilities C Detering ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Seamless integration of 2D and 3D SAR to guide medicinal chemistry J Chisholm, M Gastreich, E Champness, C Detering, P Hunt, T Mansley, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Bridging the dimensions: Seamless integration of 3D structure-based design and 2D structure-activity relationships to guide medicinal chemistry M Gastreich, M Segall, C Detering, E Champness, C Lemmen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
Marcus GastreichBioSolveITVerified email at biosolveit.de
Marcus GastreichBioSolveITVerified email at biosolveit.de