De Vico L - Search Results

1

Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins.

Pedraza-González L, Marín MDC, Jorge AN, Ruck TD, Yang X, Valentini A, Olivucci M, De Vico L. Pedraza-González L, et al. Among authors: de vico l. J Chem Inf Model. 2020 Mar 23;60(3):1481-1493. doi: 10.1021/acs.jcim.9b00615. Epub 2020 Feb 10. J Chem Inf Model. 2020. PMID: 31909998 Free PMC article.

2

Reaction path analysis of the "tunable" photoisomerization selectivity of free and locked retinal chromophores.

De Vico L, Page CS, Garavelli M, Bernardi F, Basosi R, Olivucci M. De Vico L, et al. J Am Chem Soc. 2002 Apr 17;124(15):4124-34. doi: 10.1021/ja017502c. J Am Chem Soc. 2002. PMID: 11942852

3

Photoisomerization acceleration in retinal protonated Schiff-base models.

Sinicropi A, Migani A, De Vico L, Olivucci M. Sinicropi A, et al. Among authors: de vico l. Photochem Photobiol Sci. 2003 Dec;2(12):1250-5. doi: 10.1039/b307333p. Photochem Photobiol Sci. 2003. PMID: 14717218

4

A fast photoswitch for minimally perturbed peptides: investigation of the trans-->cis photoisomerization of N-methylthioacetamide.

Helbing J, Bregy H, Bredenbeck J, Pfister R, Hamm P, Huber R, Wachtveitl J, De Vico L, Olivucci M. Helbing J, et al. Among authors: de vico l. J Am Chem Soc. 2004 Jul 21;126(28):8823-34. doi: 10.1021/ja049227a. J Am Chem Soc. 2004. PMID: 15250736

5

Photoisomerization mechanism of 11-cis-locked artificial retinal chromophores: acceleration and primary photoproduct assignment.

De Vico L, Garavelli M, Bernardi F, Olivucci M. De Vico L, et al. J Am Chem Soc. 2005 Mar 2;127(8):2433-42. doi: 10.1021/ja045747u. J Am Chem Soc. 2005. PMID: 15724998

6

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

Aquilante F, Autschbach J, Carlson RK, Chibotaru LF, Delcey MG, De Vico L, Fdez Galván I, Ferré N, Frutos LM, Gagliardi L, Garavelli M, Giussani A, Hoyer CE, Li Manni G, Lischka H, Ma D, Malmqvist PÅ, Müller T, Nenov A, Olivucci M, Pedersen TB, Peng D, Plasser F, Pritchard B, Reiher M, Rivalta I, Schapiro I, Segarra-Martí J, Stenrup M, Truhlar DG, Ungur L, Valentini A, Vancoillie S, Veryazov V, Vysotskiy VP, Weingart O, Zapata F, Lindh R. Aquilante F, et al. Among authors: de vico l. J Comput Chem. 2016 Feb 15;37(5):506-41. doi: 10.1002/jcc.24221. Epub 2015 Nov 12. J Comput Chem. 2016. PMID: 26561362

7

New General Tools for Constrained Geometry Optimizations.

De Vico L, Olivucci M, Lindh R. De Vico L, et al. J Chem Theory Comput. 2005 Sep;1(5):1029-37. doi: 10.1021/ct0500949. J Chem Theory Comput. 2005. PMID: 26641918

8

Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins.

Marín MDC, De Vico L, Dong SS, Gagliardi L, Truhlar DG, Olivucci M. Marín MDC, et al. Among authors: de vico l. J Chem Theory Comput. 2019 Mar 12;15(3):1915-1923. doi: 10.1021/acs.jctc.8b01069. Epub 2019 Feb 20. J Chem Theory Comput. 2019. PMID: 30721054 Free PMC article.

9

Two-State, Three-Mode Parametrization of the Force Field of a Retinal Chromophore Model.

Marsili E, Farag MH, Yang X, De Vico L, Olivucci M. Marsili E, et al. Among authors: de vico l. J Phys Chem A. 2019 Mar 7;123(9):1710-1719. doi: 10.1021/acs.jpca.8b10010. Epub 2019 Feb 26. J Phys Chem A. 2019. PMID: 30753077 Free PMC article.

10

a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement.

Pedraza-González L, De Vico L, Marı N MADC, Fanelli F, Olivucci M. Pedraza-González L, et al. Among authors: de vico l. J Chem Theory Comput. 2019 May 14;15(5):3134-3152. doi: 10.1021/acs.jctc.9b00061. Epub 2019 Apr 12. J Chem Theory Comput. 2019. PMID: 30916955 Free PMC article.

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