Tyrchan C - Search Results

1

Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex.

Weerakoon D, Carbajo RJ, De Maria L, Tyrchan C, Zhao H. Weerakoon D, et al. Among authors: tyrchan c. J Chem Inf Model. 2022 Jan 24;62(2):340-349. doi: 10.1021/acs.jcim.1c01036. Epub 2022 Jan 12. J Chem Inf Model. 2022. PMID: 35018781

2

REINVENT 2.0: An AI Tool for De Novo Drug Design.

Blaschke T, Arús-Pous J, Chen H, Margreitter C, Tyrchan C, Engkvist O, Papadopoulos K, Patronov A. Blaschke T, et al. Among authors: tyrchan c. J Chem Inf Model. 2020 Dec 28;60(12):5918-5922. doi: 10.1021/acs.jcim.0c00915. Epub 2020 Oct 29. J Chem Inf Model. 2020. PMID: 33118816

3

Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity Prediction.

Fernández-Llaneza D, Ulander S, Gogishvili D, Nittinger E, Zhao H, Tyrchan C. Fernández-Llaneza D, et al. Among authors: tyrchan c. ACS Omega. 2021 Apr 15;6(16):11086-11094. doi: 10.1021/acsomega.1c01266. eCollection 2021 Apr 27. ACS Omega. 2021. PMID: 34056263 Free PMC article.

4

Unraveling the Allosteric Cross-Talk between the Coactivator Peptide and the Ligand-Binding Site in the Glucocorticoid Receptor.

La Sala G, Gunnarsson A, Edman K, Tyrchan C, Hogner A, Frolov AI. La Sala G, et al. Among authors: tyrchan c. J Chem Inf Model. 2021 Jul 26;61(7):3667-3680. doi: 10.1021/acs.jcim.1c00323. Epub 2021 Jun 22. J Chem Inf Model. 2021. PMID: 34156843 Free article.

5

Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization.

Amarasinghe KN, De Maria L, Tyrchan C, Eriksson LA, Sadowski J, Petrović D. Amarasinghe KN, et al. Among authors: tyrchan c. J Chem Inf Model. 2022 Jun 27;62(12):2999-3007. doi: 10.1021/acs.jcim.2c00193. Epub 2022 Jun 14. J Chem Inf Model. 2022. PMID: 35699524

6

Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble.

Audagnotto M, Czechtizky W, De Maria L, Käck H, Papoian G, Tornberg L, Tyrchan C, Ulander J. Audagnotto M, et al. Among authors: tyrchan c. Sci Rep. 2022 Jun 15;12(1):10018. doi: 10.1038/s41598-022-13714-z. Sci Rep. 2022. PMID: 35705565 Free PMC article.

7

The Role of Allylic Strain for Conformational Control in Medicinal Chemistry.

Zhao H, Brånalt J, Perry M, Tyrchan C. Zhao H, et al. Among authors: tyrchan c. J Med Chem. 2023 Jun 22;66(12):7730-7755. doi: 10.1021/acs.jmedchem.3c00446. Epub 2023 Jun 7. J Med Chem. 2023. PMID: 37285219 Review.

8

Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design.

Grebner C, Iegre J, Ulander J, Edman K, Hogner A, Tyrchan C. Grebner C, et al. Among authors: tyrchan c. J Chem Inf Model. 2016 Apr 25;56(4):774-87. doi: 10.1021/acs.jcim.5b00744. Epub 2016 Mar 25. J Chem Inf Model. 2016. PMID: 26974351

9

The deubiquitinase USP7 uses a distinct ubiquitin-like domain to deubiquitinate NF-ĸB subunits.

Mitxitorena I, Somma D, Mitchell JP, Lepistö M, Tyrchan C, Smith EL, Kiely PA, Walden H, Keeshan K, Carmody RJ. Mitxitorena I, et al. Among authors: tyrchan c. J Biol Chem. 2020 Aug 14;295(33):11754-11763. doi: 10.1074/jbc.RA120.014113. Epub 2020 Jun 25. J Biol Chem. 2020. PMID: 32587091 Free PMC article.

10

Comparison of molecular fingerprint methods on the basis of biological profile data.

Steffen A, Kogej T, Tyrchan C, Engkvist O. Steffen A, et al. Among authors: tyrchan c. J Chem Inf Model. 2009 Feb;49(2):338-47. doi: 10.1021/ci800326z. J Chem Inf Model. 2009. PMID: 19434835

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