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Page 1
The IPEA dilemma in CASPT2.
Zobel JP, Nogueira JJ, González L. Zobel JP, et al. Among authors: nogueira jj. Chem Sci. 2017 Feb 1;8(2):1482-1499. doi: 10.1039/c6sc03759c. Epub 2016 Sep 26. Chem Sci. 2017. PMID: 28572908 Free PMC article.
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors.
Lucia-Tamudo J, Nogueira JJ, Díaz-Tendero S. Lucia-Tamudo J, et al. Among authors: nogueira jj. J Phys Chem B. 2023 Feb 23;127(7):1513-1525. doi: 10.1021/acs.jpcb.2c07225. Epub 2023 Feb 13. J Phys Chem B. 2023. PMID: 36779932 Free PMC article.
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations.
Cárdenas G, Lucia-Tamudo J, Mateo-delaFuente H, Palmisano VF, Anguita-Ortiz N, Ruano L, Pérez-Barcia Á, Díaz-Tendero S, Mandado M, Nogueira JJ. Cárdenas G, et al. Among authors: nogueira jj. J Comput Chem. 2023 Feb 5;44(4):516-533. doi: 10.1002/jcc.27018. Epub 2022 Dec 12. J Comput Chem. 2023. PMID: 36507763 Free PMC article.
Attosecond impulsive stimulated X-ray Raman scattering in liquid water.
Alexander O, Egun F, Rego L, Gutierrez AM, Garratt D, Cárdenas GA, Nogueira JJ, Lee JP, Zhao K, Wang RP, Ayuso D, Barnard JCT, Beauvarlet S, Bucksbaum PH, Cesar D, Coffee R, Duris J, Frasinski LJ, Huse N, Kowalczyk KM, Larsen KA, Matthews M, Mukamel S, O'Neal JT, Penfold T, Thierstein E, Tisch JWG, Turner JR, Vogwell J, Driver T, Berrah N, Lin MF, Dakovski GL, Moeller SP, Cryan JP, Marinelli A, Picón A, Marangos JP. Alexander O, et al. Among authors: nogueira jj. Sci Adv. 2024 Sep 27;10(39):eadp0841. doi: 10.1126/sciadv.adp0841. Epub 2024 Sep 25. Sci Adv. 2024. PMID: 39321305 Free article.
Membrane Permeation of Psychedelic Tryptamines by Dynamic Simulations.
Palmisano VF, Agnorelli C, Fagiolini A, Erritzoe D, Nutt D, Faraji S, Nogueira JJ. Palmisano VF, et al. Among authors: nogueira jj. Biochemistry. 2024 Feb 7;63(4):419-28. doi: 10.1021/acs.biochem.3c00598. Online ahead of print. Biochemistry. 2024. PMID: 38324395 Free PMC article.
51 results