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26 results

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Page 1
Frontiers in Multiscale Modeling of Photoreceptor Proteins.
Mroginski MA, Adam S, Amoyal GS, Barnoy A, Bondar AN, Borin VA, Church JR, Domratcheva T, Ensing B, Fanelli F, Ferré N, Filiba O, Pedraza-González L, González R, González-Espinoza CE, Kar RK, Kemmler L, Kim SS, Kongsted J, Krylov AI, Lahav Y, Lazaratos M, NasserEddin Q, Navizet I, Nemukhin A, Olivucci M, Olsen JMH, Pérez de Alba Ortíz A, Pieri E, Rao AG, Rhee YM, Ricardi N, Sen S, Solov'yov IA, De Vico L, Wesolowski TA, Wiebeler C, Yang X, Schapiro I. Mroginski MA, et al. Among authors: pedraza gonzalez l. Photochem Photobiol. 2021 Mar;97(2):243-269. doi: 10.1111/php.13372. Epub 2021 Feb 13. Photochem Photobiol. 2021. PMID: 33369749 Free PMC article. Review.
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol.
Pedraza-González L, Barneschi L, Padula D, De Vico L, Olivucci M. Pedraza-González L, et al. Top Curr Chem (Cham). 2022 Mar 15;380(3):21. doi: 10.1007/s41061-022-00374-w. Top Curr Chem (Cham). 2022. PMID: 35291019 Free PMC article. Review.
The three-center two-positron bond.
Charry J, Moncada F, Barborini M, Pedraza-González L, Varella MTDN, Tkatchenko A, Reyes A. Charry J, et al. Among authors: pedraza gonzalez l. Chem Sci. 2022 Oct 18;13(46):13795-13802. doi: 10.1039/d2sc04630j. eCollection 2022 Nov 30. Chem Sci. 2022. PMID: 36544737 Free PMC article.
On the fluorescence enhancement of arch neuronal optogenetic reporters.
Barneschi L, Marsili E, Pedraza-González L, Padula D, De Vico L, Kaliakin D, Blanco-González A, Ferré N, Huix-Rotllant M, Filatov M, Olivucci M. Barneschi L, et al. Among authors: pedraza gonzalez l. Nat Commun. 2022 Oct 28;13(1):6432. doi: 10.1038/s41467-022-33993-4. Nat Commun. 2022. PMID: 36307417 Free PMC article.
Modern quantum chemistry with [Open]Molcas.
Aquilante F, Autschbach J, Baiardi A, Battaglia S, Borin VA, Chibotaru LF, Conti I, De Vico L, Delcey M, Fdez Galván I, Ferré N, Freitag L, Garavelli M, Gong X, Knecht S, Larsson ED, Lindh R, Lundberg M, Malmqvist PÅ, Nenov A, Norell J, Odelius M, Olivucci M, Pedersen TB, Pedraza-González L, Phung QM, Pierloot K, Reiher M, Schapiro I, Segarra-Martí J, Segatta F, Seijo L, Sen S, Sergentu DC, Stein CJ, Ungur L, Vacher M, Valentini A, Veryazov V. Aquilante F, et al. Among authors: pedraza gonzalez l. J Chem Phys. 2020 Jun 7;152(21):214117. doi: 10.1063/5.0004835. J Chem Phys. 2020. PMID: 32505150
Covalent bonds in positron dihalides.
Moncada F, Pedraza-González L, Charry J, do N Varella MT, Reyes A. Moncada F, et al. Among authors: pedraza gonzalez l. Chem Sci. 2019 Oct 29;11(1):44-52. doi: 10.1039/c9sc04433g. eCollection 2020 Jan 7. Chem Sci. 2019. PMID: 32953003 Free PMC article.
26 results