Items where Author is "Smiesko, Martin"
Number of items: 33. 2022Schreier, Verena N. and Appenzeller-Herzog, Christian and Brüschweiler, Beat J. and Geueke, Birgit and Wilks, Martin F. and Simat, Thomas J. and Schilter, Benoit and Smiesko, Martin and Muncke, Jane and Odermatt, Alex and Roth, Nicolas. (2022) Evaluating the food safety and risk assessment evidence-base of polyethylene terephthalate oligomers: Protocol for a systematic evidence map. Environment International, 167. p. 107387. 2020Fischer, André and Sellner, Manuel and Neranjan, Santhosh and Smiesko, Martin and Lill, Markus A.. (2020) Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds. International journal of molecular sciences, 21 (10). p. 3626. 2019Wahl, Joel and Smiesko, Martin. (2019) Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules. Journal of chemical information and modeling, 59 (2). pp. 754-765. Schönemann, Wojciech and Cramer, Jonathan and Mühlethaler, Tobias and Fiege, Brigitte and Silbermann, Marleen and Rabbani, Said and Dätwyler, Philipp and Zihlmann, Pascal and Jakob, Roman P. and Sager, Christoph P. and Smiesko, Martin and Schwardt, Oliver and Maier, Timm and Ernst, Beat. (2019) Improvement of Aglycone π-Stacking Yields Nano- to Subnanomolar FimH Antagonists. ChemMedChem, 14 (7). pp. 749-757. Crane, Erika A. and Heydenreuter, Wolfgang and Beck, Katharina R. and Strajhar, Petra and Vomacka, Jan and Smiesko, Martin and Mons, Elma and Barth, Lydia and Neuburger, Markus and Vedani, Angelo and Odermatt, Alex and Sieber, Stephan A. and Gademann, Karl. (2019) Profiling withanolide A for therapeutic targets in neurodegenerative diseases. Bioorganic & medicinal chemistry, 27 (12). pp. 2508-2520. Reinhardt, Jakob K. and Klemd, Amy M. and Danton, Ombeline and De Mieri, Maria and Smiesko, Martin and Huber, Roman and Bürgisser, Thomas and Gründemann, Carsten and Hamburger, Matthias. (2019) Sesquiterpene lactones from Artemisia argyi - absolute configuration and immunosuppressive activity. Journal of Natural Products, 82 (6). pp. 1424-1433. 2018Mohebbi, Maryam and Bararjanian, Morteza and Ebrahimi, Samad N. and Smiesko, Martin and Salehi, Peyman. (2018) Noscapine Derivatives as New Chiral Catalysts in Asymmetric Synthesis: Highly Enantioselective Addition of Diethylzinc to Aldehydes. SYNTHESIS-STUTTGART, 50 (9). pp. 1841-1848. 2017Guccione, Clizia and Oufir, Mouhssin and Piazzini, Vieri and Eigenmann, Daniela Elisabeth and Jähne, Evelyn Andrea and Zabela, Volha and Faleschini, Maria Teresa and Bergonzi, Maria Camilla and Smiesko, Martin and Hamburger, Matthias and Bilia, Anna Rita. (2017) Andrographolide-loaded nanoparticles for brain delivery: formulation, charcterization and in vitro permeability using hCMEC/D3 cell line. European Journal of Pharmaceutics and Biopharmaceutics, 119. pp. 253-263. Navarra, Giulio and Zihlmann, Pascal and Jakob, Roman P. and Stangier, Katia and Preston, Roland C. and Rabbani, Said and Smiesko, Martin and Wagner, Bea and Maier, Timm and Ernst, Beat. (2017) Carbohydrate-Lectin Interactions - An Unexpected Contribution to Affinity. ChemBioChem, 18 (6). pp. 539-544. Pang, Lijuan and Bezençon, Jacqueline and Kleeb, Simon and Rabbani, Said and Sigl, Anja and Smiesko, Martin and Sager, Christoph P. and Eris, Deniz and Schwardt, Oliver and Ernst, Beat. (2017) FimH antagonists - solubility vs. permeability. In: Carbohydrate Chemistry. London, pp. 248-273. Moradi-Afrapoli, Fahimeh and Ebrahimi, Samad Nejad and Smiesko, Martin and Hamburger, Matthias. (2017) HPLC-Based Activity Profiling for GABAA Receptor Modulators in Extracts: Validation of an Approach Utilizing a Larval Zebrafish Locomotor Assay. Journal of Natural Products, 80 (5). pp. 1548-1557. March 2016Eigenmann, Daniela E. and Jähne, Evelyn A. and Smiesko, Martin and Hamburger, Matthias and Oufir, Mouhssin. (2016) Validation of an immortalized human (hBMEC) in vitro blood-brain barrier model. Analytical and Bioanalytical Chemistry, 408 (8). pp. 2095-2107. 2015Kleeb, Simon and Pang, Lijuan and Mayer, Katharina and Eris, Deniz and Sigl, Anja and Preston, Roland C. and Zihlmann, Pascal and Sharpe, Timothy and Jakob, Roman P. and Abgottspon, Daniela and Hutter, Aline S. and Scharenberg, Meike and Jiang, Xiaohua and Navarra, Giulio and Rabbani, Said and Smiesko, Martin and Lüdin, Nathalie and Bezençon, Jacqueline and Schwardt, Oliver and Maier, Timm and Ernst, Beat. (2015) FimH Antagonists: Bioisosteres To Improve the in Vitro and in Vivo PK/PD Profile. Journal of Medicinal Chemistry, 58 (5). pp. 2221-2239. 2014Vedani, Angelo and Dobler, Max and Hu, Zhenquan and Smiesko, Martin. (2014) OpenVirtualToxLab - a platform for generating and exchanging in silico toxicity data. Toxicology letters, Vol. 232, H. 2. pp. 519-532. 2013Eid, Sameh and Zalewski, Adam and Smiesko, Martin and Ernst, Beat and Vedani, Angelo. (2013) A molecular-modeling toolbox aimed at bridging the gap between medicinal chemistry and computational sciences. International Journal of Molecular Sciences, 14 (1). pp. 684-700. Ebrahimi, Samad N. and Zimmermann, Stefanie and Zaugg, Janine and Smiesko, Martin and Brun, Reto and Hamburger, Matthias. (2013) Abietane Diterpenoids from Salvia sahendica - Antiprotozoal Activity and Determination of Their Absolute Configurations. Planta medica, Vol. 79, H. 2. pp. 150-156. Moradi-Afrapoli, Fahimeh and Ebrahimi, Samad Nejad and Smiesko, Martin and Raith, Melanie and Zimmermann, Stefanie and Nadjafi, Farsad and Brun, Reto and Hamburger, Matthias. (2013) Bisabololoxide derivatives from Artemisia persica, and determination of their absolute configurations by ECD. Phytochemistry, Vol. 85. pp. 143-152. Smiesko, Martin. (2013) DOLINA - Docking Based on a Local Induced-Fit Algorithm : Application toward Small-Molecule Binding to Nuclear Receptors. Journal of chemical information and modeling, Vol. 53, H. 6. pp. 1415-1423. Vedani Angelo, Dobler Max and Smiesko, Martin. (2013) Software VirtualToxLab : user reference and manual - version 4.8. [Basel]. Zierke, Mirko and Smiesko, Martin and Rabbani, Said and Aeschbacher, Thomas and Cutting, Brian and Allain, Frédéric H.-T. and Schubert, Mario and Ernst, Beat. (2013) Stabilization of branched oligosaccharides : Lewisx benefits from a non-conventional C-H...O hydrogen bond. Journal of the American Chemical Society, 135 (36). pp. 13464-13472. 2012Titz, Alexander and Marra, Alberto and Cutting, Brian and Smiesko, Martin and Papandreou, George and Dondoni, Alessandro and Ernst, Beat. (2012) Conformational constraints : nature does it best with Sialyl Lewisx. European Journal of Organic Chemistry, 2012 (28). pp. 5534-5539. Schwizer, Daniel and Patton, John T. and Cutting, Brian and Smiesko, Martin and Wagner, Beatrice and Kato, Ako and Weckerle, Céline and Binder, Florian P. C. and Rabbani, Said and Schwardt, Oliver and Magnani, John L. and Ernst, Beat. (2012) Pre-organization of the core structure of E-selectin antagonists. Chemistry - A European Journal, 18 (5). pp. 1342-1351. Vedani, Angelo and Dobler, Max and Smiesko, Martin. (2012) VirtualToxLab - a platform for estimating the toxic potential of drugs, chemicals and natural products. Toxicology and applied pharmacology, Vol. 261, H. 2. pp. 142-153. 2011Rossato, G. and Ernst, Beat and Vedani, Angelo and Smiesko, Martin. (2011) AcquaAlta: a directional approach to the solvation of ligand-protein complexes. Journal of Chemical Information and Modeling, 51 (8). pp. 1867-1881. Schwardt, Oliver and Rabbani, Said and Hartmann, Margrit and Abgottspon, Daniela and Wittwer, Matthias and Kleeb, Simon and Zalewski, Adam and Smiesko, Martin and Cutting, Brian and Ernst, Beat. (2011) Design, Synthesis and Biological Evaluation of Mannosyl Triazoles as FimH Antagonists. Bioorganic & Medicinal Chemistry, 19 (21). pp. 6454-6473. Zaugg, Janine and Ebrahimi, Samad Nejad and Smiesko, Martin and Baburin, Igor and Hering, Steffen and Hamburger, Matthias. (2011) Identification of GABAA receptor modulators in Kadsura longipedunculata and assignment of absolute configurations by quantum-chemical ECD calculations. Phytochemistry, Vol. 72, H. 18. pp. 2385-2395. 2010Abgottspon, Daniela and Rölli, Gina and Hosch, Lucie and Steinhuber, Andrea and Jiang, Xiaohua and Schwardt, Oliver and Cutting, Brian and Smiesko, Martin and Jenal, Urs and Ernst, Beat and Trampuz, Andrej. (2010) Development of an aggregation assay to screen FimH antagonists. Journal of Microbiological Methods, 82 (3). pp. 249-255. Klein, Tobias and Abgottspon, Daniela and Wittwer, Matthias and Rabbani, Said and Herold, Janno and Jiang, Xiaohua and Kleeb, Simon and Lüthi, Christine and Scharenberg, Meike and Bezençcon, Jacqueline and Gubler, Erich and Pang, Lijuan and Smiesko, Martin and Cutting, Brian and Schwardt, Oliver and Ernst, Beat. (2010) FimH Antagonists for the Oral Treatment of Urinary Tract Infections : From Design and Synthesis to In Vitro and In Vivo Evaluation. Journal of Medicinal Chemistry, 53 (24). pp. 8627-8641. Rossato, Gianluca and Ernst, Beat and Smiesko, Martin and Spreafico, Morena and Vedani, Angelo. (2010) Probing small-molecule binding to cytochrome P450 2D6 and 2C9: an in silico protocol for generating toxicity alerts. ChemMedChem, 5 (12). pp. 2088-2101. Spreafico, Morena and Smiesko, Martin and Peristera, Ourania and Rossato, Gianluca and Vedani, Angelo. (2010) Probing small-molecule binding to the liver-X receptor : a mixed-model QSAR study. Molecular informatics, Vol. 29, H. 1-2 , S. 27–36. Titz, Alexander and Patton, John and Smiesko, Martin and Radic, Zorana and Schwardt, Oliver and Magnani, John L. and Ernst, Beat. (2010) Probing the Carbohydrate Recognition Domain of E-Selectin : The Importance of the Acid Orientation in sLex Mimetics. Bioorganic & Medicinal Chemistry, 18 (1). pp. 19-27. 2009Spreafico, Morena and Ernst, Beat and Lill, Markus A. and Smiesko, Martin and Vedani, Angelo. (2009) Mixed-Model QSAR at the Glucocorticoid Receptor: Predicting the Binding Mode and Affinity of Psychotropic Drugs. ChemMedChem, 4 (1). pp. 100-109. Peristera, Ourania and Spreafico, Morena and Smiesko, Martin and Ernst, Beat and Vedani, Angelo.. (2009) Mixed-model QSAR at the human mineralocorticoid receptor : Predicting binding mode and affinity of anabolic steroids. Toxicology Letters, 189 (3). pp. 219-224. |
