B. Bienfait

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JSME: a free molecule editor in JavaScript

Peter Ertl, Bruno Bienfait, B. Bienfait, 2013, Journal of Cheminformatics.

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

Johann Gasteiger, Lothar Terfloth, Bruno Bienfait, 2007 .

Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.

J. Gasteiger, C. Laggner, Dimitar Hristozov, 2010, Combinatorial chemistry & high throughput screening.

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*

B. Bienfait, P. Blumberg, S. Garfield, 2000, The Journal of Biological Chemistry.

The transition from a pharmacophore-guided approach to a receptor-guided approach in the design of potent protein kinase C ligands.

B Bienfait, B. Bienfait, G. Milne, 1999, Pharmacology & therapeutics.

b 2-Chimaerin is a novel target for diacylglycerol : Binding properties and changes in subcellular localization mediated by ligand binding to its C 1 domain

E. Kremmer, B. Bienfait, H. Mischak, 1999 .

Conformationally constrained analogues of diacylglycerol (DAG). 16. How much structural complexity is necessary for recognition and high binding affinity to protein kinase C?

B Bienfait, B. Bienfait, P. Blumberg, 2000, Journal of medicinal chemistry.

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

B. Bienfait, R. Sustmann, W. Sicking, 1991 .

Computational Chemistry on Commodity-Type Computers

Marc C. Nicklaus, Robert W. Williams, Milan Hodoscek, 1998, J. Chem. Inf. Comput. Sci..

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

Johannes H. Voigt, Marc C. Nicklaus, Shaomeng Wang, 2001, J. Chem. Inf. Comput. Sci..

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

Johann Gasteiger, Andrew P. Worth, Tomasz Magdziarz, 2015, J. Chem. Inf. Model..

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.

B. Bienfait, P. Blumberg, V. Marquez, 2000, Bioorganic & medicinal chemistry letters.

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

Johann Gasteiger, Lothar Terfloth, Bruno Bienfait, 2007, J. Chem. Inf. Model..

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

Chihae Yang, J. Rathman, S. Enoch, 2023, Computational Toxicology.

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

A. Richard, P. Volarath, J. Rathman, 2021, Computational toxicology.

Enhanced CACTVS Browser of the Open NCI Database

Frank Oellien, Wolf-Dietrich Ihlenfeldt, Johannes H. Voigt, 2002, J. Chem. Inf. Comput. Sci..

beta2-chimaerin is a novel target for diacylglycerol: binding properties and changes in subcellular localization mediated by ligand binding to its C1 domain.

E. Kremmer, B. Bienfait, H. Mischak, 1999, Proceedings of the National Academy of Sciences of the United States of America.

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

Ryan R. Lougee, G. Patlewicz, A. Richard, 2023, Chemical research in toxicology.

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

Johann Gasteiger, Oliver Sacher, Roland J. Siezen, 2014, PloS one.

Conformationally constrained analogues of diacylglycerol (DAG). 15. The indispensable role of the sn-1 and sn-2 carbonyls in the binding of DAG-lactones to protein kinase C (PK-C).

B. Bienfait, P. Blumberg, V. Marquez, 1998, Bioorganic & medicinal chemistry letters.

Conformationally constrained analogues of diacylglycerol (DAG). 17. Contrast between sn-1 and sn-2 DAG lactones in binding to protein kinase C.

B. Bienfait, P. Blumberg, H. Tamamura, 2000, Journal of medicinal chemistry.

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

W. Tong, S. Thakkar, Chihae Yang, 2020, Chemical research in toxicology.