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2008 1
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2012 2
2013 4
2014 3
2015 2
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2017 3
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2019 1
2020 1
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2022 7
2023 3
2024 4

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Page 1
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. Among authors: padula d. 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.
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: padula d. Nat Commun. 2022 Oct 28;13(1):6432. doi: 10.1038/s41467-022-33993-4. Nat Commun. 2022. PMID: 36307417 Free PMC article.
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence.
Pedraza-González L, Barneschi L, Marszałek M, Padula D, De Vico L, Olivucci M. Pedraza-González L, et al. Among authors: padula d. J Chem Theory Comput. 2023 Jan 10;19(1):293-310. doi: 10.1021/acs.jctc.2c00928. Epub 2022 Dec 14. J Chem Theory Comput. 2023. PMID: 36516450
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry.
Li Manni G, Fdez Galván I, Alavi A, Aleotti F, Aquilante F, Autschbach J, Avagliano D, Baiardi A, Bao JJ, Battaglia S, Birnoschi L, Blanco-González A, Bokarev SI, Broer R, Cacciari R, Calio PB, Carlson RK, Carvalho Couto R, Cerdán L, Chibotaru LF, Chilton NF, Church JR, Conti I, Coriani S, Cuéllar-Zuquin J, Daoud RE, Dattani N, Decleva P, de Graaf C, Delcey MG, De Vico L, Dobrautz W, Dong SS, Feng R, Ferré N, Filatov Gulak M, Gagliardi L, Garavelli M, González L, Guan Y, Guo M, Hennefarth MR, Hermes MR, Hoyer CE, Huix-Rotllant M, Jaiswal VK, Kaiser A, Kaliakin DS, Khamesian M, King DS, Kochetov V, Krośnicki M, Kumaar AA, Larsson ED, Lehtola S, Lepetit MB, Lischka H, López Ríos P, Lundberg M, Ma D, Mai S, Marquetand P, Merritt ICD, Montorsi F, Mörchen M, Nenov A, Nguyen VHA, Nishimoto Y, Oakley MS, Olivucci M, Oppel M, Padula D, Pandharkar R, Phung QM, Plasser F, Raggi G, Rebolini E, Reiher M, Rivalta I, Roca-Sanjuán D, Romig T, Safari AA, Sánchez-Mansilla A, Sand AM, Schapiro I, Scott TR, Segarra-Martí J, Segatta F, Sergentu DC, Sharma P, Shepard R, Shu Y, Staab JK, Straatsma TP, Sørensen LK, Tenorio BNC, Truhlar DG, Ungur L, Vacher M, Veryazov V, Voß TA, Weser O, Wu D, Yan… See abstract for full author list ➔ Li Manni G, et al. Among authors: padula d. J Chem Theory Comput. 2023 Oct 24;19(20):6933-6991. doi: 10.1021/acs.jctc.3c00182. Epub 2023 May 22. J Chem Theory Comput. 2023. PMID: 37216210 Free PMC article.
38 results