Bajorath, Jürgen : rechercher sur Z-Library

Nature Reviews Drug Discovery

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 658 KB

english, 2002

Design of a Three-Dimensional Multitarget Activity Landscape

de la Vega de León, Antonio, Bajorath, Jürgen

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2012

Exploring the Scaffold Universe of Kinase Inhibitors

Hu, Ye, Bajorath, Jürgen

Journal:

Hu, Ye, Stumpfe, Dagmar, Bajorath, Jürgen

Année:

2015

Langue:

english

Fichier:

PDF, 2.83 MB

english, 2015

Computational Exploration of Molecular Scaffolds in Medicinal Chemistry

Journal:

Anne Mai Wassermann, Martin Vogt, Jürgen Bajorath

Année:

2016

Langue:

english

Fichier:

PDF, 2.24 MB

english, 2016

Iterative Shannon Entropy – a Methodology to Quantify the Information Content of Value Range Dependent Data Distributions. Application to Descriptor and Compound Selectivity Profiling

Journal:

Molecular Informatics

Année:

2010

Langue:

english

Fichier:

PDF, 558 KB

english, 2010

Computational screening for membrane-directed inhibitors of mast cell activation

José Batista, Tim Friedrichson, Georg Schlechtingen, Tobias Braxmeier, Gary Jennings, Jürgen Bajorath

Journal:

European Journal of Medicinal Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 322 KB

english, 2010

Bayesian Screening for Active Compounds in High-dimensional Chemical Spaces Combining Property Descriptors and Molecular Fingerprints

Martin Vogt, Jürgen Bajorath

Journal:

Anne M. Wassermann, Dilyana Dimova, Jürgen Bajorath

Année:

2008

Langue:

english

Fichier:

PDF, 119 KB

english, 2008

Comprehensive Analysis of Single- and Multi-Target Activity Cliffs Formed by Currently Available Bioactive Compounds

Journal:

Preeti Iyer, Jürgen Bajorath

Année:

2011

Langue:

english

Fichier:

PDF, 868 KB

english, 2011

Representation of Multi-Target Activity Landscapes Through Target Pair-Based Compound Encoding in Self-Organizing Maps

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 702 KB

english, 2011

Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 110 KB

english, 2002

[Methods in Molecular Biology] Chemoinformatics and Computational Chemical Biology || Methods for Combinatorial and Parallel Library Design

Année:

2011

Langue:

english

Fichier:

PDF, 658 KB

english, 2011

[Methods in Molecular Biology] Chemoinformatics Volume 275 || Prediction of Drug-Like Molecular Properties

Gupta-Ostermann, Disha, Hu, Ye, Bajorath, Jürgen

Année:

2004

Langue:

english

Fichier:

PDF, 477 KB

english, 2004

Introducing the LASSO Graph for Compound Data Set Representation and Structure–Activity Relationship Analysis

Journal:

Peter Ripphausen, Britta Nisius, Jürgen Bajorath

Année:

2012

Langue:

english

Fichier:

PDF, 4.38 MB

english, 2012

State-of-the-art in ligand-based virtual screening

Journal:

Drug Discovery Today

Année:

2011

Langue:

english

Fichier:

PDF, 213 KB

english, 2011

The enzymatic activity of proteinase K is controlled by calcium

Jürgen BAJORATH, Winfried HINRICHS, Wolfram SAENGER

Journal:

FEBS Journal

Année:

1988

Langue:

english

Fichier:

PDF, 698 KB

english, 1988

Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account

Hu, Ye, Maggiora, Gerald M., Bajorath, Jürgen

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 491 KB

english, 2013

Chemoinformatics: Recent advances at the interfaces between computer and chemical information sciences, chemistry, and drug discovery

Bioorganic & Medicinal Chemistry

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 111 KB

english, 2012

Introduction of the Conditional Correlated Bernoulli Model of Similarity Value Distributions and its Application to the Prospective Prediction of Fingerprint Search Performance

Vogt, Martin, Bajorath, Jürgen

Journal:

Maggiora, Gerald, Vogt, Martin, Stumpfe, Dagmar, Bajorath, Jürgen

Année:

2011

Langue:

english

Fichier:

PDF, 4.59 MB

english, 2011

Molecular Similarity in Medicinal Chemistry

Journal:

Furtmann, Norbert, Hu, Ye, Bajorath, Jürgen

Année:

2014

Langue:

english

Fichier:

PDF, 2.68 MB

english, 2014

Comprehensive Analysis of Three-Dimensional Activity Cliffs Formed by Kinase Inhibitors with Different Binding Modes and Cliff Mapping of Structural Analogues

Journal:

Hu, Ye, Furtmann, Norbert, Bajorath, Jürgen

Année:

2015

Langue:

english

Fichier:

PDF, 5.41 MB

english, 2015

Current Compound Coverage of the Kinome

Journal:

Hu, Ye, Furtmann, Norbert, Gütschow, Michael, Bajorath, Jürgen

Année:

2015

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2015

Systematic Identification and Classification of Three-Dimensional Activity Cliffs

Journal:

Vogt, Ingo, Bajorath, Jürgen

Année:

2012

Langue:

english

Fichier:

PDF, 3.02 MB

english, 2012

Analysis of a High-Throughput Screening Data Set Using Potency-Scaled Molecular Similarity Algorithms

Journal:

Bajorath, Jürgen, Jiang, Hualiang, Shoichet, Brian K., Walters, W. Patrick

Année:

2007

Langue:

english

Fichier:

PDF, 260 KB

english, 2007

Computational Methods for Medicinal Chemistry

Journal:

Zhang, Bijun, Vogt, Martin, Bajorath, Jürgen

Année:

2015

Langue:

english

Fichier:

PDF, 117 KB

english, 2015

Design of an activity landscape view taking compound-based feature probabilities into account

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2014

Syntheses, Cholinesterases Inhibition, and Molecular Docking Studies of Pyrido[2,3- b ]pyrazine Derivatives

Hameed, Abdul, Zehra, Syeda T., Shah, Syed J. A., Khan, Khalid M., Alharthy, Rima D., Furtmann, Norbert, Bajorath, Jürgen, Tahir, Muhammad N., Iqbal, Jamshed

Journal:

Stahura, Florence, Bajorath, Jürgen

Année:

2015

Langue:

english

Fichier:

PDF, 425 KB

english, 2015

New Methodologies for Ligand-Based Virtual Screening

Journal:

Current Pharmaceutical Design

Année:

2005

Langue:

english

Fichier:

PDF, 299 KB

english, 2005

Systematic computational analysis of structure–activity relationships: concepts, challenges and recent advances

Peltason, Lisa, Bajorath, Jürgen

Journal:

Future Medicinal Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 3.30 MB

english, 2009

[Methods in Molecular Biology] Chemoinformatics Volume 275 || Methods for Applying the Quantitative Structure-Activity Relationship Paradigm

Xue, Ling, Bajorath, Jurgen

Année:

2004

Langue:

english

Fichier:

PDF, 753 KB

english, 2004

Molecular Descriptors in Chemoinformatics, Computational Combinatorial Chemistry, and Virtual Screening

Journal:

Combinatorial Chemistry & High Throughput Screening

Année:

2000

Langue:

english

Fichier:

PDF, 300 KB

english, 2000

Computational Methods for Drug Discovery and Design

Tropsha, Alexander, Bajorath, Jürgen

Journal:

Stumpfe, Dagmar, Dimova, Dilyana, Bajorath, Jürgen

Année:

2015

Langue:

english

Fichier:

PDF, 113 KB

english, 2015

Computational Method for the Systematic Identification of Analog Series and Key Compounds Representing Series and Their Biological Activity Profiles

Journal:

Bienstock, Rachelle J., Shanmugasundaram, Veerabahu, Bajorath, Jürgen

Année:

2016

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2016

[ACS Symposium Series] Frontiers in Molecular Design and Chemical Information Science - Herman Skolnik Award Symposium 2015: Jürgen Bajorath Volume 1222 || Visualization of a Multidimensional Descriptor Space

Année:

2016

Langue:

english

Fichier:

PDF, 1.55 MB

english, 2016

Recent Advances in Scaffold Hopping

Hu, Ye, Stumpfe, Dagmar, Bajorath, Jürgen

Journal:

Vogt, Martin, Bajorath, Jürgen

Année:

2017

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2017

Modeling Tanimoto Similarity Value Distributions and Predicting Search Results

Journal:

Molecular Informatics

Année:

2016

Langue:

english

Fichier:

PDF, 2.90 MB

english, 2016

Chemoinformatics for Drug Discovery (Bajorath/Chemoinformatics for Drug Discovery) || APPLICATIONS OF CHEMINFORMATICS IN PHARMACEUTICAL RESEARCH

Stumpfe, Dagmar, Gilberg, Erik, Bajorath, Jürgen

Année:

2013

Langue:

english

Fichier:

PDF, 454 KB

english, 2013

Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference

Journal:

Future Science OA

Année:

2018

Langue:

english

Fichier:

PDF, 318 KB

english, 2018

Design of a tripartite network for the prediction of drug targets

Kunimoto, Ryo, Bajorath, Jürgen

Journal:

Yonchev, Dimitar, Dimova, Dilyana, Stumpfe, Dagmar, Vogt, Martin, Bajorath, Jürgen

Année:

2018

Langue:

english

Fichier:

PDF, 2.18 MB

english, 2018

Redundancy in two major compound databases

Journal:

Drug Discovery Today

Année:

2018

Langue:

english

Fichier:

PDF, 467 KB

english, 2018

Berberine Reduces Neurotoxicity Related to Nonalcoholic Steatohepatitis in Rats

Ghareeb, Doaa A., Khalil, Sofia, Hafez, Hani S., Bajorath, Jürgen, Ahmed, Hany E. A., Sarhan, Eman, Elwakeel, Eiman, El-Demellawy, Maha A.

Journal:

Evidence-based Complementary and Alternative Medicine

Année:

2015

Langue:

english

Fichier:

PDF, 2.47 MB

english, 2015

Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling

Miyao, Tomoyuki, Funatsu, Kimito, Bajorath, Jürgen

Journal:

Miljković, Filip, Rodríguez-Pérez, Raquel, Bajorath, Jürgen

Année:

2018

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2018

Machine Learning Models for Accurate Prediction of Kinase Inhibitors with Different Binding Modes

Journal:

Stumpfe, Dagmar, Hu, Huabin, Bajorath, Jürgen

Année:

2019

Langue:

english

Fichier:

PDF, 1.55 MB

english, 2019

Computational method for the identification of third generation activity cliffs

Journal:

MethodsX

Année:

2020

Langue:

english

Fichier:

PDF, 776 KB

english, 2020

Comparison of an antibody model with an X-ray structure: The variable fragment of BR96

Bajorath, Jürgen, Sheriff, Steven

Journal:

Jürgen Bajorath, Alejandro Aruffo

Année:

1996

Langue:

english

Fichier:

PDF, 610 KB

english, 1996

Construction and analysis of a detailed three-dimensional model of the ligand binding domain of the human B cell receptor CD40

Journal:

Année:

1997

Langue:

english

Fichier:

PDF, 415 KB

english, 1997

Identification of the ligand binding site in Fas (CD95) and analysis of Fas-ligand interactions

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 472 KB

english, 1999

Molecular organization, structural features, and ligand binding characteristics of CD44, a highly variable cell surface glycoprotein with multiple functions

Journal:

Michael A. Bowen, Alejandro A. Aruffo, Jürgen Bajorath

Année:

2000

Langue:

english

Fichier:

PDF, 311 KB

english, 2000

Cell surface receptors and their ligands: In vitro analysis of CD6-CD166 interactions

Journal: