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Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode.
Lagarias P, Vrontaki E, Lambrinidis G, Stamatis D, Convertino M, Ortore G, Mavromoustakos T, Klotz KN, Kolocouris A. Lagarias P, et al. Among authors: lambrinidis g. J Chem Inf Model. 2018 Apr 23;58(4):794-815. doi: 10.1021/acs.jcim.7b00455. Epub 2018 Mar 19. J Chem Inf Model. 2018. PMID: 29485875
X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Thomaston JL, Konstantinidi A, Liu L, Lambrinidis G, Tan J, Caffrey M, Wang J, Degrado WF, Kolocouris A. Thomaston JL, et al. Among authors: lambrinidis g. Biochemistry. 2020 Feb 4;59(4):627-634. doi: 10.1021/acs.biochem.9b00971. Epub 2020 Jan 13. Biochemistry. 2020. PMID: 31894969 Free PMC article.
Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Ma C, Sacco MD, Xia Z, Lambrinidis G, Townsend JA, Hu Y, Meng X, Szeto T, Ba M, Zhang X, Gongora M, Zhang F, Marty MT, Xiang Y, Kolocouris A, Chen Y, Wang J. Ma C, et al. Among authors: lambrinidis g. ACS Cent Sci. 2021 Jul 28;7(7):1245-1260. doi: 10.1021/acscentsci.1c00519. Epub 2021 Jun 18. ACS Cent Sci. 2021. PMID: 34341772 Free PMC article.
Investigation of Tumor Cells and Receptor-Ligand Simulation Models for the Development of PET Imaging Probes Targeting PSMA and GRPR and a Possible Crosstalk between the Two Receptors.
Liolios C, Patsis C, Lambrinidis G, Tzortzini E, Roscher M, Bauder-Wüst U, Kolocouris A, Kopka K. Liolios C, et al. Among authors: lambrinidis g. Mol Pharm. 2022 Jul 4;19(7):2231-2247. doi: 10.1021/acs.molpharmaceut.2c00070. Epub 2022 Apr 25. Mol Pharm. 2022. PMID: 35467350
Structure-Based Lead Optimization of Enterovirus D68 2A Protease Inhibitors.
Tan B, Liu C, Li K, Jadhav P, Lambrinidis G, Zhu L, Olson L, Tan H, Wen Y, Kolocouris A, Liu W, Wang J. Tan B, et al. Among authors: lambrinidis g. J Med Chem. 2023 Nov 9;66(21):14544-14563. doi: 10.1021/acs.jmedchem.3c00995. Epub 2023 Oct 19. J Med Chem. 2023. PMID: 37857371 Free PMC article.
Accurate calculation of affinity changes to the close state of influenza A M2 transmembrane domain in response to subtle structural changes of adamantyl amines using free energy perturbation methods in different lipid bilayers.
Georgiou K, Konstantinidi A, Hutterer J, Freudenberger K, Kolarov F, Lambrinidis G, Stylianakis I, Stampelou M, Gauglitz G, Kolocouris A. Georgiou K, et al. Among authors: lambrinidis g. Biochim Biophys Acta Biomembr. 2024 Feb;1866(2):184258. doi: 10.1016/j.bbamem.2023.184258. Epub 2023 Nov 22. Biochim Biophys Acta Biomembr. 2024. PMID: 37995846 Review.
Hit-to-Lead Optimization of Heterocyclic Carbonyloxycarboximidamides as Selective Antagonists at Human Adenosine A3 Receptor.
Huang X, Chorianopoulou A, Kalkounou P, Georgiou M, Pousias A, Davies A, Pearce A, Harris M, Lambrinidis G, Marakos P, Pouli N, Kolocouris A, Lougiakis N, Ladds G. Huang X, et al. Among authors: lambrinidis g. J Med Chem. 2024 Aug 8;67(15):13117-13146. doi: 10.1021/acs.jmedchem.4c01092. Epub 2024 Jul 29. J Med Chem. 2024. PMID: 39073853 Free PMC article.
Multi-objective optimization methods in novel drug design.
Lambrinidis G, Tsantili-Kakoulidou A. Lambrinidis G, et al. Expert Opin Drug Discov. 2021 Jun;16(6):647-658. doi: 10.1080/17460441.2021.1867095. Epub 2020 Dec 31. Expert Opin Drug Discov. 2021. PMID: 33353441 Review.
Challenges with multi-objective QSAR in drug discovery.
Lambrinidis G, Tsantili-Kakoulidou A. Lambrinidis G, et al. Expert Opin Drug Discov. 2018 Sep;13(9):851-859. doi: 10.1080/17460441.2018.1496079. Epub 2018 Jul 12. Expert Opin Drug Discov. 2018. PMID: 29996683 Review.
50 results