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Page 1
Allostery in Its Many Disguises: From Theory to Applications.
Wodak SJ, Paci E, Dokholyan NV, Berezovsky IN, Horovitz A, Li J, Hilser VJ, Bahar I, Karanicolas J, Stock G, Hamm P, Stote RH, Eberhardt J, Chebaro Y, Dejaegere A, Cecchini M, Changeux JP, Bolhuis PG, Vreede J, Faccioli P, Orioli S, Ravasio R, Yan L, Brito C, Wyart M, Gkeka P, Rivalta I, Palermo G, McCammon JA, Panecka-Hofman J, Wade RC, Di Pizio A, Niv MY, Nussinov R, Tsai CJ, Jang H, Padhorny D, Kozakov D, McLeish T. Wodak SJ, et al. Among authors: rivalta i. Structure. 2019 Apr 2;27(4):566-578. doi: 10.1016/j.str.2019.01.003. Epub 2019 Feb 7. Structure. 2019. PMID: 30744993 Free PMC article. Review.
Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy.
Segarra-Martí J, Mukamel S, Garavelli M, Nenov A, Rivalta I. Segarra-Martí J, et al. Among authors: rivalta i. Top Curr Chem (Cham). 2018 Jun 1;376(3):24. doi: 10.1007/s41061-018-0201-8. Top Curr Chem (Cham). 2018. PMID: 29858697 Free article. Review.
Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9.
Palermo G, Ricci CG, Fernando A, Basak R, Jinek M, Rivalta I, Batista VS, McCammon JA. Palermo G, et al. Among authors: rivalta i. J Am Chem Soc. 2017 Nov 15;139(45):16028-16031. doi: 10.1021/jacs.7b05313. Epub 2017 Aug 7. J Am Chem Soc. 2017. PMID: 28764328 Free PMC article.
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter.
Mirón GD, Semelak JA, Grisanti L, Rodriguez A, Conti I, Stella M, Velusamy J, Seriani N, Došlić N, Rivalta I, Garavelli M, Estrin DA, Kaminski Schierle GS, González Lebrero MC, Hassanali A, Morzan UN. Mirón GD, et al. Among authors: rivalta i. Nat Commun. 2023 Nov 13;14(1):7325. doi: 10.1038/s41467-023-42874-3. Nat Commun. 2023. PMID: 37957206 Free PMC article.
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: rivalta i. 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.
74 results