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Edgar Jacoby
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2020 – today
- 2022
- [j11]Francesc Sabanés Zariquiey
, Edgar Jacoby, Ann Vos, Herman W. T. van Vlijmen
Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery. J. Chem. Inf. Model. 62(3): 533-543 (2022)
2010 – 2019
- 2012
- [j10]Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider
Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building Blocks. J. Chem. Inf. Model. 52(5): 1167-1178 (2012) - 2011
- [j9]Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider
A Collection of Robust Organic Synthesis Reactions for In Silico Molecule Design. J. Chem. Inf. Model. 51(12): 3093-3098 (2011)
2000 – 2009
- 2007
- [j8]Timothy V. Pyrkov, Yuri A. Kosinsky, Alexander S. Arseniev, John P. Priestle, Edgar Jacoby, Roman G. Efremov:
Docking of ATP to Ca-ATPase: Considering Protein Domain Motions. J. Chem. Inf. Model. 47(3): 1171-1181 (2007) - 2006
- [j7]Philippe Ferrara, Alessandro Curioni, Eric Vangrevelinghe, T. Meyer, Tiziana Mordasini, Wanda Andreoni, Pierre Acklin, Edgar Jacoby:
New Scoring Functions for Virtual Screening from Molecular Dynamics Simulations with a Quantum-Refined Force-Field (QRFF-MD). Application to Cyclin-Dependent Kinase 2. J. Chem. Inf. Model. 46(1): 254-263 (2006) - [j6]Jérôme Hert
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching. J. Chem. Inf. Model. 46(2): 462-470 (2006) - [j5]Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. J. Chem. Inf. Model. 46(2): 525-535 (2006) - 2004
- [j4]Jérôme Hert
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures. J. Chem. Inf. Model. 44(3): 1177-1185 (2004) - [j3]Thomas Ott, Albert Kern, Ansgar Schuffenhauer, Maxim Popov, Pierre Acklin, Edgar Jacoby, Ruedi Stoop:
Sequential Superparamagnetic Clustering for Unbiased Classification of High-Dimensional Chemical Data. J. Chem. Inf. Model. 44(4): 1358-1364 (2004) - 2003
- [j2]Ansgar Schuffenhauer, Philipp Floersheim, Pierre Acklin, Edgar Jacoby:
Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins. J. Chem. Inf. Comput. Sci. 43(2): 391-405 (2003) - 2002
- [j1]Ansgar Schuffenhauer, Jürg Zimmermann, Ruedi Stoop, Jan-Jan van der Vyver, Steffano Lecchini, Edgar Jacoby:
An Ontology for Pharmaceutical Ligands and Its Application for in Silico Screening and Library Design. J. Chem. Inf. Comput. Sci. 42(4): 947-955 (2002)
1990 – 1999
- 1994
- [c1]Edgar Jacoby, Christian Zimmermann, Horst J. Bessai:
Fuzzy Control in der Diabetestherapie. Fuzzy Days 1994: 243-252
Coauthor Index
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