Altincekic N, Jores N, Löhr F, Richter C, Ehrhardt C, Blommers MJJ et al. Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies. ACS Chemical Biology. 2024 Feb 16;19(2):563-574. Epub 2024 Jan 17. doi: 10.1021/acschembio.3c00720

Torres F, Stadler G, Kwiatkowski W, Orts J. A Benchmark Study of Protein-Fragment Complex Structure Calculations with NMR2. International Journal of Molecular Sciences. 2023 Sep 20;24(18):14329. doi: 10.3390/ijms241814329, 10.3390/ijms241814329

Wasilewicz A, Kirchweger B, Bojkova D, Saad MJA, Langeder J, Butikofer M et al. Identification of Natural Products Inhibiting SARS-CoV-2 by Targeting Viral Proteases: A Combined in Silico and in Vitro Approach. Journal of Natural Products. 2023 Feb 24;86(2):264-275. Epub 2023 Jan 18. doi: 10.1021/acs.jnatprod.2c00843

Mohanty B, Orts J, Wang G, Nebl S, Alwan WS, Doak BC et al. Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes. Scientific Reports. 2022 Dec;12(1):11231. doi: 10.1038/s41598-022-13561-y

Berg H, Martin MAW, Altincekic N, Alshamleh I, Bains JK, Blechar J et al. Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug Development. Angewandte Chemie International Edition. 2022 Nov 14;61(46):e202205858. doi: 10.1002/anie.202205858

Pokharna A, Torres F, Kadavath H, Orts J, Riek R. An improved, time-efficient approach to extract accurate distance restraints for NMR²structure calculation. Magnetic Resonance. 2022 Aug 1;3(2):137-144. doi: 10.5194/mr-3-137-2022

Torres F, Walser R, Kaderli J, Rossi E, Bobby R, Packer MJ et al. NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24. Journal of Medicinal Chemistry. 2022 Apr 14;65(7):5565-5574. doi: 10.1021/acs.jmedchem.1c01703

Mertens V, Abi Saad MJ, Coudevylle N, Wälti MA, Finke A, Marsh M et al. Elucidation of a nutlin-derivative—HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation. Journal of Magnetic Resonance Open. 2022;10-11:100032. doi: 10.1016/j.jmro.2022.100032

Altincekic N, Korn SM, Qureshi NS, Dujardin M, Ninot-Pedrosa M, Abele R et al. Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications. Frontiers in Molecular Biosciences. 2021 May 10;8:653148. doi: 10.3389/fmolb.2021.653148

Strotz D, Orts J, Kadavath H, Friedmann M, Ghosh D, Olsson S et al. Protein Allostery at Atomic Resolution. Angewandte Chemie (International Edition). 2020 Dec 1;59(49):22132-22139. doi: 10.1002/anie.202008734

Orts J, Riek R. Protein—ligand structure determination with the NMR molecular replacement tool, NMR². Journal of Biomolecular NMR. 2020 Nov;74(10-11):633-642. doi: 10.1007/s10858-020-00324-y

Torres F, Ghosh D, Strotz D, Chi CN, Davis B, Orts J. Protein-fragment complex structures derived by NMR molecular replacement. RSC Medicinal Chemistry. 2020 May;11(5):591-596. doi: 10.1039/d0md00068j

Orts J, Aulikki Wälti M, Ghosh D, Campioni S, Saupe SJ, Riek R. Rational Structure-Based Design of Fluorescent Probes for Amyloid Folds. ChemBioChem: a european journal of chemical biology. 2019 May 2;20(9):1161-1166. doi: 10.1002/cbic.201800664

Torres F, Orts J. Nuclear magnetic resonance structure-based drug design. Future Medicinal Chemistry. 2018 Oct;10(20):2373-2376. doi: 10.4155/fmc-2018-0160

Sundell GN, Arnold R, Ali M, Naksukpaiboon P, Orts J, Guntert P et al. Proteome-wide analysis of phospho-regulated PDZ domain interactions. Molecular Systems Biology. 2018 Aug;14(8):e8129. doi: 10.15252/msb.20178129

Orts J, Gossert AD. Structure determination of protein-ligand complexes by NMR in solution. Methods. 2018 Apr 1;138-139:3-25. doi: 10.1016/j.ymeth.2018.01.019

Wälti MA, Orts J. The nmr² method to determine rapidly the structure of the binding pocket of a protein–ligand complex with high accuracy. Magnetochemistry. 2018 Mar;4(1):12. doi: 10.3390/magnetochemistry4010012

Strotz D, Orts J, Chi CN, Riek R, Vogeli B. eNORA2 Exact NOE Analysis Program: Journal of Chemical Theory and Computation. Journal of Chemical Theory and Computation. 2017 Sep;13(9):4336-4346. doi: 10.1021/acs.jctc.7b00436

Nichols PJ, Born A, Henen MA, Strotz D, Orts J, Olsson S et al. The Exact Nuclear Overhauser Enhancement: Recent Advances. Molecules. 2017 Jul 14;22(7):1176. doi: 10.3390/molecules22071176

Wälti MA, Riek R, Orts J. Fast NMR-Based Determination of the 3D Structure of the Binding Site of Protein–Ligand Complexes with Weak Affinity Binders. Angewandte Chemie - International Edition. 2017 May 2;56(19):5208-5211. doi: 10.1002/anie.201612304