Edgar Jacoby

Publication Activity (10 Years)

Years Active: 1994-2022
Publications (10 Years): 1

Top Topics

Scoring Function

High Throughput

Virtual Screening

Top Venues

J. Chem. Inf. Model.

Publications

Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, Herman W. T. van Vlijmen, Gary Tresadern, Jeremy N. Harvey
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) (2022)
Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider, Edgar Jacoby, Steffen Renner
Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building Blocks. J. Chem. Inf. Model. 52 (5) (2012)
Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider, Edgar Jacoby, Steffen Renner
Molecule Design. J. Chem. Inf. Model. 51 (12) (2011)
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) (2007)
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) (2006)
Jérôme Hert, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer
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) (2006)
Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. J. Chem. Inf. Model. 46 (2) (2006)
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) (2004)
Jérôme Hert, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures. J. Chem. Inf. Model. 44 (3) (2004)
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) (2003)
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) (2002)
Edgar Jacoby, Christian Zimmermann, Horst J. Bessai
Fuzzy Control in der Diabetestherapie. Fuzzy Days (1994)