Author

Bruno Bienfait

Observed names: B Bienfait, B. BIENFAIT, B. Bienfait

Institution: Molecular Networks (Germany)

Observed institutions: National Institutes of Health, Seoul National University, Uniformed Services University of the Health Sciences, Friedrich-Alexander-Universität Erlangen-Nürnberg, Georgetown University, Georgetown University Medical Center, Medizinische Hochschule Hannover, National Heart, Lung, and Blood Institute, Frederick National Laboratory for Cancer Research, National Cancer Institute, Molecular Networks (Germany), Center for Cancer Research, National Institute of Chemistry, Georgetown Lombardi Comprehensive Cancer Center, Institut für Immunologie, University of Pennsylvania, UCLouvain

OpenAlex ID: A5040455211

JSME: a free molecule editor in JavaScript

2013 · Bruno Bienfait, Peter Ertl · Journal of Cheminformatics · 322

PDF

Comparison of the NCI Open Database with Seven Large Chemical Structural Databases

2001 · Johannes H. Voigt, Bruno Bienfait, et al. · Journal of Chemical Information and Computer Sciences · 220

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

2015 · Chihae Yang, Aleksey Tarkhov, et al. · Journal of Chemical Information and Modeling · 207

Enhanced CACTVS Browser of the Open NCI Database

2002 · Wolf-Dietrich Ihlenfeldt, Johannes H. Voigt, et al. · Journal of Chemical Information and Computer Sciences · 111

β2-Chimaerin is a novel target for diacylglycerol: Binding properties and changes in subcellular localization mediated by ligand binding to its C1 domain

1999 · Maria José Caloca, Maria Laura Garcia-Bermejo, et al. · Proceedings of the National Academy of Sciences · 101

Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates

2007 · Lothar Terfloth, Bruno Bienfait, et al. · Journal of Chemical Information and Modeling · 93

The Lipophilicity of Phorbol Esters as a Critical Factor in Determining the Pattern of Translocation of Protein Kinase C δ Fused to Green Fluorescent Protein

2000 · Qiming J. Wang, Tzan-Wei Fang, et al. · Journal of Biological Chemistry · 76

PDF

Conformationally Constrained Analogues of Diacylglycerol (DAG). 16. How Much Structural Complexity Is Necessary for Recognition and High Binding Affinity to Protein Kinase C?

2000 · Kassoum Nacro, Bruno Bienfait, et al. · Journal of Medicinal Chemistry · 75

Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis

1994 · Bruno Bienfait · Journal of Chemical Information and Computer Sciences · 49

Combining Chemoinformatics with Bioinformatics: In Silico Prediction of Bacterial Flavor-Forming Pathways by a Chemical Systems Biology Approach “Reverse Pathway Engineering”

2014 · Mengjin Liu, Bruno Bienfait, et al. · PLoS ONE · 47

PDF

The Transition from a Pharmacophore-Guided Approach to a Receptor-Guided Approach in the Design of Potent Protein Kinase C Ligands

1999 · Victor E Marquez, Kassoum Nacro, et al. · Pharmacology & Therapeutics · 40

A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS)

2023 · Ann M. Richard, Ryan Lougee, et al. · Chemical Research in Toxicology · 32

PDF

Checking the Projection Display of Multivariate Data with Colored Graphs

1997 · Bruno Bienfait, Johann Gasteiger · Journal of Molecular Graphics and Modelling · 30

COSMOS next generation – A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals

2021 · C. Yang, M.T.D. Cronin, et al. · Computational Toxicology · 29

Conformationally Constrained Analogues of Diacylglycerol (DAG). 17. Contrast between sn-1 and sn-2 DAG Lactones in Binding to Protein Kinase C

2000 · Hirokazu Tamamura, Bruno Bienfait, et al. · Journal of Medicinal Chemistry · 27

β-Cyanocyclobutenone as a highly reactive dienophile in comparison to β-cyanocyclopentenone.

1991 · Bruno Bienfait, Geneviève Coppe-Motte, et al. · Tetrahedron · 21

Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors

2009 · Daniela Schuster, Lisa Kern, et al. · Combinatorial Chemistry & High Throughput Screening · 20

The role of a molecular informatics platform to support next generation risk assessment

2023 · Chihae Yang, James F Rathman, et al. · Computational Toxicology · 19

Conformationally constrained analogues of diacylglycerol (DAG). 15.1 The indispensable role of the sn-1 and sn-2 carbonyls in the binding of DAG-lactones to protein kinase C (PK-C)

1998 · Samira Benzaria, Bruno Bienfait, et al. · Bioorganic & Medicinal Chemistry Letters · 18

Development of a Battery of In Silico Prediction Tools for Drug-Induced Liver Injury from the Vantage Point of Translational Safety Assessment

2020 · James Rathman, Chihae Yang, et al. · Chemical Research in Toxicology · 13

Computational Chemistry on Commodity-Type Computers

1998 · Marc C. Nicklaus, Robert W. Williams, et al. · Journal of Chemical Information and Computer Sciences · 12

Diacylglycerols with lipophilically equivalent branched acyl chains display high affinity for protein kinase C (PK-C). A direct measure of the effect of constraining the glycerol backbone in DAG lactones

2000 · Kassoum Nacro, Bruno Bienfait, et al. · Bioorganic & Medicinal Chemistry Letters · 9

A reliable workflow for in silico assessment of genetic toxicity and application to pharmaceutical genotoxic impurities

2016 · C.H. Schwab, J.F. Rathman, et al. · Toxicology Letters · 3

THERESA - a new reaction database-driven tool for stepwise retrosynthetic analysis

2008 · Christof H Schwab, B Bienfait, et al. · Chemistry Central Journal · 3

PDF

Ligand‐Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates.

2007 · Lothar Terfloth, Bruno Bienfait, et al. · ChemInform · 2

Works count: 39

Citation count: 1,585

H-index: 18

I10-index: 21