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Estimation of Ligand Binding Free Energy Using Multi-eGO.
Stegani B, Scalone E, Toplek FB, Löhr T, Gianni S, Vendruscolo M, Capelli R, Camilloni C. Stegani B, et al. Among authors: lohr t. J Chem Inf Model. 2025 Jan 13;65(1):351-362. doi: 10.1021/acs.jcim.4c01545. Epub 2024 Dec 31. J Chem Inf Model. 2025. PMID: 39737687
Insight into the influence of Re and Cl on Ag catalysts in ethylene epoxidation.
Keijzer CJ, Weide PT, Helfferich KH, Zieciak J, de Ridder M, Dalebout R, Lohr TL, Lockemeyer JR, van den Brink P, de Jongh PE. Keijzer CJ, et al. Among authors: lohr tl. Catal Sci Technol. 2024 Nov 6;15(2):323-333. doi: 10.1039/d4cy00858h. eCollection 2025 Jan 20. Catal Sci Technol. 2024. PMID: 39553542 Free PMC article.
High Affinity Inhibitors of the Macrophage Infectivity Potentiator Protein from Trypanosoma cruzi, Burkholderia pseudomallei, and Legionella pneumophila─A Comparison.
Lohr T, Herbst C, Bzdyl NM, Jenkins C, Scheuplein NJ, Sugiarto WO, Whittaker JJ, Guskov A, Norville I, Hellmich UA, Hausch F, Sarkar-Tyson M, Sotriffer C, Holzgrabe U. Lohr T, et al. ACS Infect Dis. 2024 Oct 11;10(10):3681-3691. doi: 10.1021/acsinfecdis.4c00553. Epub 2024 Oct 2. ACS Infect Dis. 2024. PMID: 39357850
Macrophage infectivity potentiator protein, a peptidyl prolyl cis-trans isomerase, essential for Coxiella burnetii growth and pathogenesis.
Debowski AW, Bzdyl NM, Thomas DR, Scott NE, Jenkins CH, Iwasaki J, Kibble EA, Khoo CA, Scheuplein NJ, Seibel PM, Lohr T, Metters G, Bond CS, Norville IH, Stubbs KA, Harmer NJ, Holzgrabe U, Newton HJ, Sarkar-Tyson M. Debowski AW, et al. Among authors: lohr t. PLoS Pathog. 2023 Jul 3;19(7):e1011491. doi: 10.1371/journal.ppat.1011491. eCollection 2023 Jul. PLoS Pathog. 2023. PMID: 37399210 Free PMC article.
Analysis of Structure-Activity Relationships of Novel Inhibitors of the Macrophage Infectivity Potentiator (Mip) Proteins of Neisseria meningitidis, Neisseria gonorrhoeae, and Burkholderia pseudomallei.
Scheuplein NJ, Bzdyl NM, Lohr T, Kibble EA, Hasenkopf A, Herbst C, Sarkar-Tyson M, Holzgrabe U. Scheuplein NJ, et al. Among authors: lohr t. J Med Chem. 2023 Jul 13;66(13):8876-8895. doi: 10.1021/acs.jmedchem.3c00458. Epub 2023 Jun 30. J Med Chem. 2023. PMID: 37389560
62 results