Edgar Jacoby

According to our database, Edgar Jacoby authored at least 13 papers between 1994 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

Application of Semiempirical Quantum Mechanical Methods To Accurately Estimate Ligand-Binding Structure in Biological Systems: Protein Kinase Case Study.

Charles-Alexandre Mattelaer, Roberto Fino, Christian Permann, Thierry Langer, Edgar Jacoby, Jeremy N. Harvey

J. Chem. Inf. Model., 2026

2022

Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery.

Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, Herman W. T. van Vlijmen, Gary Tresadern, Jeremy N. Harvey

J. Chem. Inf. Model., 2022

2012

Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building Blocks.

Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider, Edgar Jacoby, Steffen Renner

J. Chem. Inf. Model., 2012

2011

A Collection of Robust Organic Synthesis Reactions for <i>In Silico</i> Molecule Design.

Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider, Edgar Jacoby, Steffen Renner

J. Chem. Inf. Model., 2011

2007

Docking of ATP to Ca-ATPase: Considering Protein Domain Motions.

Timothy V. Pyrkov, Yuri A. Kosinsky, Alexander S. Arseniev, John P. Priestle, Edgar Jacoby, Roman G. Efremov

J. Chem. Inf. Model., 2007

2006

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.

Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby

J. Chem. Inf. Model., 2006

New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching.

Jérôme Hert, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer

J. Chem. Inf. Model., 2006

New Scoring Functions for Virtual Screening from Molecular Dynamics Simulations with a Quantum-Refined Force-Field (QRFF-MD). Application to Cyclin-Dependent Kinase 2.

Philippe Ferrara, Alessandro Curioni, Eric Vangrevelinghe, T. Meyer, Tiziana Mordasini, Wanda Andreoni, Pierre Acklin, Edgar Jacoby

J. Chem. Inf. Model., 2006

2004

Sequential Superparamagnetic Clustering for Unbiased Classification of High-Dimensional Chemical Data.

Thomas Ott, Albert Kern, Ansgar Schuffenhauer, Maxim Popov, Pierre Acklin, Edgar Jacoby, Ruedi Stoop

J. Chem. Inf. Model., 2004

Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures.

Jérôme Hert, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer

J. Chem. Inf. Model., 2004

2003

Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins.

Ansgar Schuffenhauer, Philipp Floersheim, Pierre Acklin, Edgar Jacoby

J. Chem. Inf. Comput. Sci., 2003

2002

An Ontology for Pharmaceutical Ligands and Its Application for in Silico Screening and Library Design.

Ansgar Schuffenhauer, Jürg Zimmermann, Ruedi Stoop, Jan-Jan van der Vyver, Steffano Lecchini, Edgar Jacoby

J. Chem. Inf. Comput. Sci., 2002

1994

Fuzzy Control in der Diabetestherapie.

Edgar Jacoby, Christian Zimmermann, Horst J. Bessai

Proceedings of the Fuzzy Logik, 1994