Permann C, Seidel T, Langer T. Greedy 3-point search (G3ps)—a novel algorithm for pharmacophore alignment. Molecules. 2021 Nov 27;26(23):7201. doi: 10.3390/molecules26237201

Bryant S, Langer T. Successful Drug Discovery, Volume 5. Edited by János Fischer, Christian Klein, and Wayne E. Childers. ChemMedChem. 2021 Nov 16;17(9). doi: 10.1002/cmdc.202100705

Senatore R, Malik M, Langer T, Holzer W, Pace V. Consecutive and Selective Double Methylene Insertion of Lithium Carbenoids to Isothiocyanates: A Direct Assembly of Four-Membered Sulfur-Containing Cycles. Angewandte Chemie - International Edition. 2021 Nov 15;60(47):24854-24858. doi: 10.1002/anie.202110641

Wieder O, Kuenemann M, Wieder M, Seidel T, Meyer C, Bryant SD et al. Improved lipophilicity and aqueous solubility prediction with composite graph neural networks. Molecules. 2021 Oct 1;26(20):6185. doi: 10.3390/molecules26206185

Kohlbacher SM, Langer T, Seidel T. QPHAR: quantitative pharmacophore activity relationship: method and validation. Journal of Cheminformatics. 2021 Aug 9;13(1):57. doi: 10.1186/s13321-021-00537-9

Battisti V, Urban E, Langer T. Antivirals against the Chikungunya Virus. Viruses. 2021 Jul 5;13(7):1307. doi: 10.3390/v13071307

Lubec J, Kalaba P, Hussein AM, Feyissa DD, Kotob MH, Mahmmoud RR et al. Reinstatement of synaptic plasticity in the aging brain through specific dopamine transporter inhibition. Molecular Psychiatry. 2021 Jul;26(12):7076-7090. doi: 10.1038/s41380-021-01214-x

Kovacikova K, González MG, Jones R, Reguera J, Gigante A, Pérez-Pérez MJ et al. Structural insights into the mechanisms of action of functionally distinct classes of Chikungunya virus nonstructural protein 1 inhibitors. Antimicrobial Agents and Chemotherapy. 2021 Jul;65(7):e02566-20. doi: 10.1128/AAC.02566-20

Mekni N, Coronnello C, Langer T, De Rosa M, Perricone U. Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors. International Journal of Molecular Sciences. 2021 Jul;22(14):7714. doi: 10.3390/ijms22147714

Ozenil M, Aronow J, Millard M, Langer T, Wadsak W, Hacker M et al. Update on PET Tracer Development for Muscarinic Acetylcholine Receptors. Pharmaceuticals. 2021 Jun 2;14(6):530. doi: 10.3390/ph14060530

Vittorio S, Seidel T, Garon A, Gitto R, Langer T, De Luca L. In Silico Identification of Potential Druggable Binding Sites on CIN85 SH3 Domain. International Journal of Molecular Sciences. 2021 Jan;22(2):1-14. 534. doi: 10.3390/ijms22020534

Garon A, Wieder O, Bareis K, Seidel T, Ibis G, Bryant S et al. Hierarchical Graph Representation of Pharmacophore Models. Frontiers in Molecular Biosciences. 2020 Dec 14;7:599059. doi: 10.3389/fmolb.2020.599059

Wieder O, Kohlbacher S, Kuenemann M, Garon A, Ducrot P, Seidel T et al. A compact review of molecular property prediction with graph neural networks. Drug Discovery Today: Technologies. 2020 Dec;37:1-12. doi: 10.1016/j.ddtec.2020.11.009

Seidel T, Wieder O, Garon A, Langer T. Applications of the Pharmacophore Concept in Natural Product inspired Drug Design. Molecular Informatics. 2020 Nov 1;39(11):2000059. doi: 10.1002/minf.202000059

Miele M, Citarella A, Langer T, Urban E, Zehl M, Holzer W et al. Chemoselective Homologation-Deoxygenation Strategy Enabling the Direct Conversion of Carbonyls into (n+1)-Halomethyl-Alkanes. Organic Letters. 2020 Oct 2;22(19):7629-7634. doi: 10.1021/acs.orglett.0c02831

Battisti V, Wieder O, Garon A, Seidel T, Urban E, Langer T. A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS-CoV-2. Molecular Informatics. 2020 Oct;39(10):2000090. doi: 10.1002/minf.202000090

Karpina VR, Kovalenko SS, Kovalenko SM, Drushlyak OG, Bunyatyan ND, Georgiyants VA et al. A novel series of [1,2,4]triazolo[4,3-a]pyridine sulfonamides as potential antimalarial agents: In silico studies, synthesis and in vitro evaluation. Molecules. 2020 Oct;25(19):4485. doi: 10.3390/molecules25194485

Kovalenko SM, Drushlyak OG, Shishkina SV, Konovalova IS, Mariutsa IO, Bunyatyan ND et al. Methylation of Methyl 4-Hydroxy-2-thioxo-1,2-dihydroquinoline-3-carboxylate: Synthetic, Crystallographic, and Molecular Docking Studies. Molecules (Basel, Switzerland). 2020 Sep 16;25(18):4238. doi: 10.3390/molecules25184238

Wackerlig J, Köfeler HC, Korz V, Hussein AM, Feyissa DD, Höger H et al. Differences in Hypothalamic Lipid Profiles of Young and Aged Male Rats With Impaired and Unimpaired Spatial Cognitive Abilities and Memory. Frontiers in Aging Neuroscience. 2020 Jul 3;12:204. doi: 10.3389/fnagi.2020.00204