Atz K - Search Results

1

Leveraging molecular structure and bioactivity with chemical language models for de novo drug design.

Moret M, Pachon Angona I, Cotos L, Yan S, Atz K, Brunner C, Baumgartner M, Grisoni F, Schneider G. Moret M, et al. Among authors: atz k. Nat Commun. 2023 Jan 7;14(1):114. doi: 10.1038/s41467-022-35692-6. Nat Commun. 2023. PMID: 36611029 Free PMC article.

2

Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene.

Weiland KJ, Brandl T, Atz K, Prescimone A, Häussinger D, Šolomek T, Mayor M. Weiland KJ, et al. Among authors: atz k. J Am Chem Soc. 2019 Feb 6;141(5):2104-2110. doi: 10.1021/jacs.8b11797. Epub 2019 Jan 25. J Am Chem Soc. 2019. PMID: 30632363

3

Combining generative artificial intelligence and on-chip synthesis for de novo drug design.

Grisoni F, Huisman BJH, Button AL, Moret M, Atz K, Merk D, Schneider G. Grisoni F, et al. Among authors: atz k. Sci Adv. 2021 Jun 11;7(24):eabg3338. doi: 10.1126/sciadv.abg3338. Print 2021 Jun. Sci Adv. 2021. PMID: 34117066 Free PMC article.

4

Δ-Quantum machine-learning for medicinal chemistry.

Atz K, Isert C, Böcker MNA, Jiménez-Luna J, Schneider G. Atz K, et al. Phys Chem Chem Phys. 2022 May 11;24(18):10775-10783. doi: 10.1039/d2cp00834c. Phys Chem Chem Phys. 2022. PMID: 35470831 Free PMC article.

5

Translating from Proteins to Ribonucleic Acids for Ligand-binding Site Detection.

Möller L, Guerci L, Isert C, Atz K, Schneider G. Möller L, et al. Among authors: atz k. Mol Inform. 2022 Oct;41(10):e2200059. doi: 10.1002/minf.202200059. Epub 2022 Jun 1. Mol Inform. 2022. PMID: 35577762

6

QMugs, quantum mechanical properties of drug-like molecules.

Isert C, Atz K, Jiménez-Luna J, Schneider G. Isert C, et al. Among authors: atz k. Sci Data. 2022 Jun 7;9(1):273. doi: 10.1038/s41597-022-01390-7. Sci Data. 2022. PMID: 35672335 Free PMC article.

7

Machine Learning and Computational Chemistry for the Endocannabinoid System.

Atz K, Guba W, Grether U, Schneider G. Atz K, et al. Methods Mol Biol. 2023;2576:477-493. doi: 10.1007/978-1-0716-2728-0_39. Methods Mol Biol. 2023. PMID: 36152211 Review.

8

Structure-based drug design with geometric deep learning.

Isert C, Atz K, Schneider G. Isert C, et al. Among authors: atz k. Curr Opin Struct Biol. 2023 Apr;79:102548. doi: 10.1016/j.sbi.2023.102548. Epub 2023 Feb 24. Curr Opin Struct Biol. 2023. PMID: 36842415 Free article. Review.

9

Allosteric targeting resolves limitations of earlier LFA-1 directed modalities.

Mancuso RV, Schneider G, Hürzeler M, Gut M, Zurflüh J, Breitenstein W, Bouitbir J, Reisen F, Atz K, Ehrhardt C, Duthaler U, Gygax D, Schmidt AG, Krähenbühl S, Weitz-Schmidt G. Mancuso RV, et al. Among authors: atz k. Biochem Pharmacol. 2023 May;211:115504. doi: 10.1016/j.bcp.2023.115504. Epub 2023 Mar 14. Biochem Pharmacol. 2023. PMID: 36921634

10

Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening.

Nippa DF, Atz K, Müller AT, Wolfard J, Isert C, Binder M, Scheidegger O, Konrad DB, Grether U, Martin RE, Schneider G. Nippa DF, et al. Among authors: atz k. Commun Chem. 2023 Nov 20;6(1):256. doi: 10.1038/s42004-023-01047-5. Commun Chem. 2023. PMID: 37985850 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

27 results

Search Page

Filters