#### Filter Results:

- Full text PDF available (40)

#### Publication Year

1988

2018

- This year (5)
- Last 5 years (38)
- Last 10 years (64)

#### Publication Type

#### Co-author

#### Journals and Conferences

#### Organism

Learn More

- Luis Manuel Frutos, Tadeusz AndruniÃ³w, Fabrizio Santoro, Nicolas FerrÃ©, Massimo Olivucci
- Proceedings of the National Academy of Sciencesâ€¦
- 2007

The primary event that initiates vision is the photoinduced isomerization of retinal in the visual pigment rhodopsin (Rh). Here, we use a scaled quantum mechanics/molecular mechanics potential thatâ€¦ (More)

- Igor Schapiro, Mikhail Nikolaevich Ryazantsev, Luis Manuel Frutos, Nicolas FerrÃ©, Roland Lindh, Massimo Olivucci
- Journal of the American Chemical Society
- 2011

Rhodopsin (Rh) and bathorhodopsin (bathoRh) quantum-mechanics/molecular-mechanics models based on ab initio multiconfigurational wave functions are employed to look at the light induced Ï€-bondâ€¦ (More)

- Pedro B. Coto, Angela Strambi, Nicolas FerrÃ©, Massimo Olivucci
- Proceedings of the National Academy of Sciencesâ€¦
- 2006

We demonstrate that "brute force" quantum-mechanics/molecular-mechanics computations based on ab initio (i.e., first principles) multiconfigurational perturbation theory can reproduce the absorptionâ€¦ (More)

- Gerrit Groenhof, Mathieu Bouxin-Cademartory, +5 authors Michael A. Robb
- Journal of the American Chemical Society
- 2004

Atomistic QM/MM simulations have been carried out on the complete photocycle of Photoactive Yellow Protein, a bacterial photoreceptor, in which blue light triggers isomerization of a covalently boundâ€¦ (More)

- Tadeusz AndruniÃ³w, Nicolas FerrÃ©, Massimo Olivucci
- Proceedings of the National Academy of Sciencesâ€¦
- 2004

We demonstrate that a "brute force" quantum chemical calculation based on an ab initio multiconfigurational second order perturbation theory approach implemented in a quantum mechanics/molecularâ€¦ (More)

- Remedios GonzÃ¡lez-Luque, Marco Garavelli, Fernando Bernardi, Manuela MerchÃ¡n, Michael A. Robb, Massimo Olivucci
- Proceedings of the National Academy of Sciencesâ€¦
- 2000

In this paper we use ab initio multiconfigurational second-order perturbation theory to establish the intrinsic photoisomerization path model of retinal chromophores. This is accomplished byâ€¦ (More)

- Piero Altoe, Alessandro Cembran, Massimo Olivucci, Marco Garavelli
- Proceedings of the National Academy of Sciencesâ€¦
- 2010

Quantum mechanics/molecular mechanics calculations based on ab initio multiconfigurational second order perturbation theory are employed to construct a computer model of Bacteriorhodopsin thatâ€¦ (More)

- Samer Gozem, Igor Schapiro, Nicolas FerrÃ©, Massimo Olivucci
- Science
- 2012

Spontaneous electrical signals in the retina's photoreceptors impose a limit on visual sensitivity. Their origin is attributed to a thermal, rather than photochemical, activation of the transductionâ€¦ (More)

- Luca De Vico, Massimo Olivucci, Roland Lindh
- Journal of chemical theory and computation
- 2005

A modification of the constrained geometry optimization method by Anglada and Bofill (Anglada, J. M.; Bofill, J. M. J. Comput. Chem. 1997, 18, 992-1003) is designed and implemented. The changesâ€¦ (More)

- Luca De Vico, Christopher S. Page, Marco Garavelli, Fernando Bernardi, Riccardo Basosi, Massimo Olivucci
- Journal of the American Chemical Society
- 2002

Multiconfigurational second-order perturbation theory computations and reaction path mapping for the retinal protonated Schiff base models all-trans-nona-2,4,6,8-tetraeniminium andâ€¦ (More)