Edgar Jacoby

13 papers Journal 12Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
Application of Semiempirical Quantum Mechanical Methods To Accurately Estimate Ligand-Binding Structure in Biological Systems: Protein Kinase Case Study.
J. Chem. Inf. Model.
Charles-Alexandre Mattelaer, Roberto Fino, Christian Permann, Thierry Langer, Edgar Jacoby, Jeremy N. Harvey
2022 J jnl
Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery.
J. Chem. Inf. Model.
Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, Herman W. T. van Vlijmen, Gary Tresadern, Jeremy N. Harvey
2012 J jnl
Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building Blocks.
J. Chem. Inf. Model.
Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider, Edgar Jacoby, Steffen Renner
2011 J jnl
A Collection of Robust Organic Synthesis Reactions for
J. Chem. Inf. Model.
Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider, Edgar Jacoby, Steffen Renner
2007 J jnl
Docking of ATP to Ca-ATPase: Considering Protein Domain Motions.
J. Chem. Inf. Model.
Timothy V. Pyrkov, Yuri A. Kosinsky, Alexander S. Arseniev, John P. Priestle, Edgar Jacoby, Roman G. Efremov
2006 J jnl
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.
Jérôme Hert, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer
2006 J jnl
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.
Philippe Ferrara, Alessandro Curioni, Eric Vangrevelinghe, T. Meyer, Tiziana Mordasini, Wanda Andreoni, Pierre Acklin, Edgar Jacoby
2006 J jnl
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.
J. Chem. Inf. Model.
Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby
2004 J jnl
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures.
J. Chem. Inf. Model.
Jérôme Hert, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer
2004 J jnl
Sequential Superparamagnetic Clustering for Unbiased Classification of High-Dimensional Chemical Data.
J. Chem. Inf. Model.
Thomas Ott, Albert Kern, Ansgar Schuffenhauer, Maxim Popov, Pierre Acklin, Edgar Jacoby, Ruedi Stoop
2003 J jnl
Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins.
J. Chem. Inf. Comput. Sci.
Ansgar Schuffenhauer, Philipp Floersheim, Pierre Acklin, Edgar Jacoby
2002 J jnl
An Ontology for Pharmaceutical Ligands and Its Application for in Silico Screening and Library Design.
J. Chem. Inf. Comput. Sci.
Ansgar Schuffenhauer, Jürg Zimmermann, Ruedi Stoop, Jan-Jan van der Vyver, Steffano Lecchini, Edgar Jacoby
1994 — conf
Fuzzy Control in der Diabetestherapie.
Fuzzy Days
Edgar Jacoby, Christian Zimmermann, Horst J. Bessai