Schneider G - Search Results

1

Prospective de novo drug design with deep interactome learning.

Atz K, Cotos L, Isert C, Håkansson M, Focht D, Hilleke M, Nippa DF, Iff M, Ledergerber J, Schiebroek CCG, Romeo V, Hiss JA, Merk D, Schneider P, Kuhn B, Grether U, Schneider G. Atz K, et al. Among authors: schneider g. Nat Commun. 2024 Apr 22;15(1):3408. doi: 10.1038/s41467-024-47613-w. Nat Commun. 2024. PMID: 38649351 Free PMC article.

2

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: schneider g. Nat Commun. 2023 Jan 7;14(1):114. doi: 10.1038/s41467-022-35692-6. Nat Commun. 2023. PMID: 36611029 Free PMC article.

3

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: schneider g. Commun Chem. 2023 Nov 20;6(1):256. doi: 10.1038/s42004-023-01047-5. Commun Chem. 2023. PMID: 37985850 Free PMC article.

4

Concepts and applications of "natural computing" techniques in de novo drug and peptide design.

Hiss JA, Hartenfeller M, Schneider G. Hiss JA, et al. Among authors: schneider g. Curr Pharm Des. 2010 May;16(15):1656-65. doi: 10.2174/138161210791164009. Curr Pharm Des. 2010. PMID: 20222857 Review.

5

De Novo Design at the Edge of Chaos.

Schneider P, Schneider G. Schneider P, et al. Among authors: schneider g. J Med Chem. 2016 May 12;59(9):4077-86. doi: 10.1021/acs.jmedchem.5b01849. Epub 2016 Feb 16. J Med Chem. 2016. PMID: 26881908

6

Counting on natural products for drug design.

Rodrigues T, Reker D, Schneider P, Schneider G. Rodrigues T, et al. Among authors: schneider p, schneider g. Nat Chem. 2016 Jun;8(6):531-41. doi: 10.1038/nchem.2479. Epub 2016 Apr 25. Nat Chem. 2016. PMID: 27219696 Review.

7

Deep Learning in Drug Discovery.

Gawehn E, Hiss JA, Schneider G. Gawehn E, et al. Among authors: schneider g. Mol Inform. 2016 Jan;35(1):3-14. doi: 10.1002/minf.201501008. Epub 2015 Dec 30. Mol Inform. 2016. PMID: 27491648 Review.

8

Scoring of de novo Designed Chemical Entities by Macromolecular Target Prediction.

Button AL, Hiss JA, Schneider P, Schneider G. Button AL, et al. Among authors: schneider p, schneider g. Mol Inform. 2017 Jan;36(1-2). doi: 10.1002/minf.201600110. Epub 2016 Sep 19. Mol Inform. 2017. PMID: 27643811

9

De-orphaning the marine natural product (±)-marinopyrrole A by computational target prediction and biochemical validation.

Schneider P, Schneider G. Schneider P, et al. Among authors: schneider g. Chem Commun (Camb). 2017 Feb 14;53(14):2272-2274. doi: 10.1039/c6cc09693j. Chem Commun (Camb). 2017. PMID: 28154844

10

Privileged Structures Revisited.

Schneider P, Schneider G. Schneider P, et al. Among authors: schneider g. Angew Chem Int Ed Engl. 2017 Jun 26;56(27):7971-7974. doi: 10.1002/anie.201702816. Epub 2017 May 30. Angew Chem Int Ed Engl. 2017. PMID: 28558125 Free PMC article.

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