Zobrazeno 1 - 10
of 75
pro vyhledávání: '"Alexander Hillisch"'
Autor:
Suzanne Ackloo, Albert A. Antolin, Jose Manuel Bartolome, Hartmut Beck, Alex Bullock, Ulrich A. K. Betz, Jark Böttcher, Peter J. Brown, Menorca Chaturvedi, Alisa Crisp, Danette Daniels, Jan Dreher, Kristina Edfeldt, Aled M. Edwards, Ursula Egner, Jon Elkins, Christian Fischer, Tine Glendorf, Steven Goldberg, Ingo V. Hartung, Alexander Hillisch, Evert Homan, Stefan Knapp, Markus Köster, Oliver Krämer, Josep Llaveria, Uta Lessel, Sven Lindemann, Lars Linderoth, Hisanori Matsui, Maurice Michel, Florian Montel, Anke Mueller-Fahrnow, Susanne Müller, Dafydd R. Owen, Kumar Singh Saikatendu, Vijayaratnam Santhakumar, Wendy Sanderson, Cora Scholten, Matthieu Schapira, Sujata Sharma, Brock Shireman, Michael Sundström, Matthew H. Todd, Claudia Tredup, Jennifer Venable, Timothy M. Willson, Cheryl H. Arrowsmith
Publikováno v:
RSC Medicinal Chemistry.
Target 2035, an international federation of biomedical scientists from the public and private sectors, is leveraging ‘open’ principles to develop a pharmacological tool for every human protein.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3307d439e596fca276308b7255fe64f6
https://doi.org/10.1039/d2md00441k
https://doi.org/10.1039/d2md00441k
Autor:
Lara Kuhnke, Floriane Montanari, Mario Lobell, Sebastian Schneckener, Jörg Wichard, Alexander Hillisch, Andreas H. Göller, Antonius Ter Laak, Anne Bonin
Publikováno v:
Drug Discovery Today. 25:1702-1709
Over the past two decades, an in silico absorption, distribution, metabolism, and excretion (ADMET) platform has been created at Bayer Pharma with the goal to generate models for a variety of pharmacokinetic and physicochemical endpoints in early dru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fcac6cb31599d96b4951ce1d30388a54
https://doi.org/10.1016/j.drudis.2020.07.001
https://doi.org/10.1016/j.drudis.2020.07.001
Autor:
Matthias Beat Wittwer, Dieudonné Tshitenge Tshitenge, Pierre-Luc Boudreault, Annie Doucet, Maximilian Kullmann, Joachim Mittendorf, Émilie Blaise, Florian Kölling, Alexander Hillisch, Christian Comeau, Marie-Pierre Collin, Lea Seep, Eric Marsault, Andreas H. Göller, Antoine Le Roux, Marilena Giarrusso, Thomas Neubauer
Publikováno v:
Journal of Medicinal Chemistry. 63:6774-6783
We herein report the first thorough analysis of the structure-permeability relationship of semipeptidic macrocycles. In total, 47 macrocycles were synthesized using a hybrid solid-phase/solution strategy, and then their passive and cellular permeabil
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0233d450b6d70f6daea1d2fd2c80ac76
https://doi.org/10.1021/acs.jmedchem.0c00013
https://doi.org/10.1021/acs.jmedchem.0c00013
Publikováno v:
Artificial Intelligence in Drug Design ISBN: 9781071617861
The well-known concept of quantitative structure-activity relationships (QSAR) has been gaining significant interest in the recent years. Data, descriptors, and algorithms are the main pillars to build useful models that support more efficient drug d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3c83b0f56a88b8f5f131f37d7a164821
https://doi.org/10.1007/978-1-0716-1787-8_2
https://doi.org/10.1007/978-1-0716-1787-8_2
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 2390
The well-known concept of quantitative structure-activity relationships (QSAR) has been gaining significant interest in the recent years. Data, descriptors, and algorithms are the main pillars to build useful models that support more efficient drug d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6b6f91a55fe6bf285b12851565e0ca73
https://pubmed.ncbi.nlm.nih.gov/34731464
https://pubmed.ncbi.nlm.nih.gov/34731464
Autor:
Benjamin G. Perry, Rommie E. Amaro, Claudia R. Gordijo, Cora Scholten, Andrew R. Leach, Alexander Hillisch, Kristina Edfeldt, Johanna M. Jansen, Uta Lessel, Gerhard F. Ecker, Rima Al-awar, Matthieu Schapira, Daniel Kuhn, Masoud Vedadi, John D. Chodera, Suzanne Ackloo, Ian Dunham, Robert A. Batey, Wendy D. Cornell, Ingo Muegge, Ulrich A. K. Betz, Hatylas Azevedo, Cristian Bologa, Yoshua Bengio, Kumar Singh Saikatendu, Timothy M. Willson, Aled M. Edwards, Vijayaratnam Santhakumar, John Moult, Alpha A. Lee, Patrick Riley, Michael K. Gilson, Matthew H. Todd, Gerhard Hessler, Cheryl H. Arrowsmith, Andrea Volkamer, Tudor I. Oprea, Anders Hogner, John J. Irwin
Computational approaches in drug discovery and development hold great promise, with artificial intelligence methods undergoing widespread contemporary use, but the experimental validation of these new approaches is frequently inadequate. We are initi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e23031ffc540b08feca94dc5f23b802
https://doi.org/10.33774/chemrxiv-2021-rzq4n
https://doi.org/10.33774/chemrxiv-2021-rzq4n
Autor:
Suzanne Ackloo, Rima Al-awar, Rommie E. Amaro, Cheryl H. Arrowsmith, Hatylas Azevedo, Robert A. Batey, Yoshua Bengio, Ulrich A.K. Betz, Cristian G. Bologa, John D. Chodera, Wendy D. Cornell, Ian Dunham, Gerhard F. Ecker, Kristina Edfeldt, Aled M. Edwards, Michael K. Gilson, Claudia R. Gordijo, Gerhard Hessler, Alexander Hillisch, Anders Hogner, John J. Irwin, Johanna M. Jansen, Daniel Kuhn, Andrew R. Leach, Alpha A. Lee, Uta Lessel, John Moult, Ingo Muegge, Tudor I. Oprea, Benjamin G. Perry, Patrick Riley, Kumar Singh Saikatendu, Vijayaratnam Santhakumar, Matthieu Schapira, Cora Scholten, Matthew H. Todd, Masoud Vedadi, Andrea Volkamer, Timothy M. Willson
Computational approaches in drug discovery and development hold great promise, with artificial intelligence methods undergoing widespread contemporary use, but the experimental validation of these new approaches is frequently inadequate. We are initi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14ff20377f97c4f069e09484e87a7f2c
https://doi.org/10.26434/chemrxiv-2021-rzq4n
https://doi.org/10.26434/chemrxiv-2021-rzq4n
Autor:
Stephan Menz, Steffen Schaper, Jessica Hey, Sebastian Schneckener, Sergio Grimbs, Alexander Hillisch, Maren Osmers, Andreas H. Göller
Publikováno v:
Journal of Chemical Information and Modeling. 59:4893-4905
Oral administration of drug products is a strict requirement in many medical indications. Therefore, bioavailability prediction models are of high importance for prioritization of compound candidates in the drug discovery process. However, oral expos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de1ae1e6371dc92e1f47f4f034e6f598
https://doi.org/10.1021/acs.jcim.9b00460
https://doi.org/10.1021/acs.jcim.9b00460
Autor:
Susanne Roehrig, Kersten Matthias Gericke, Simone Schulz, Roman C. Hillig, Mark Jean Gnoth, Philip Lienau, Martina Schaefer, Swen Allerheiligen, Alexander Hillisch, Adrian Tersteegen, Stefan Heitmeier, Vera Puetter
Publikováno v:
Journal of medicinal chemistry. 63(21)
Despite extensive research on small molecule thrombin inhibitors for oral application in the past decades, only a single double prodrug with very modest oral bioavailability has reached human therapy as a marketed drug. We have undertaken major effor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e2d18a51ea3eae07ccb9b49344caf4e
https://pubmed.ncbi.nlm.nih.gov/33108181
https://pubmed.ncbi.nlm.nih.gov/33108181
Publikováno v:
ChemMedChem. 15(21)
Target druggability assessment is an integral part of the early target characterization and selection process in pharmaceutical industry. Here, we investigate a set of five different serine proteases from the blood coagulation cascade. The aim of thi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd377e3b6e39b423f3910d8ecb0a6c8c
https://pubmed.ncbi.nlm.nih.gov/32776472
https://pubmed.ncbi.nlm.nih.gov/32776472