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Your search keyword '"Nisius, B"' showing total 17 results

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17 results on '"Nisius, B"'

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1. Precision electroweak measurements on the Z resonance

2. Derisking Future Agrochemicals before They Are Made: Large-Scale In Vitro Screening for In Silico Modeling of Thyroid Peroxidase Inhibition.

3. Alignment-independent comparison of binding sites based on DrugScore potential fields encoded by 3D Zernike descriptors.

4. Structure-based computational analysis of protein binding sites for function and druggability prediction.

5. Information entropic functions for molecular descriptor profiling.

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

7. Rationalizing the role of SAR tolerance for ligand-based virtual screening.

8. Mapping of pharmacological space.

10. Identification of descriptors capturing compound class-specific features by mutual information analysis.

11. Rendering conventional molecular fingerprints for virtual screening independent of molecular complexity and size effects.

12. Reduction and recombination of fingerprints of different design increase compound recall and the structural diversity of hits.

13. Molecular fingerprint recombination: generating hybrid fingerprints for similarity searching from different fingerprint types.

14. Development of a fingerprint reduction approach for Bayesian similarity searching based on Kullback-Leibler divergence analysis.

15. Fragment shuffling: an automated workflow for three-dimensional fragment-based ligand design.

16. Similarity-based classifier using topomers to provide a knowledge base for hERG channel inhibition.

17. Combining cluster analysis, feature selection and multiple support vector machine models for the identification of human ether-a-go-go related gene channel blocking compounds.

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