Validation of Recombinant Chicken Liver Bile Acid Binding Protein as a Tool for Cholic Acid Hosting

por Tassone, Giusy, Orlandini, Maurizio, Olivucci, Massimo, Pozzi, Cecilia
Publicado 2021

Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model

por Zen, Andrea, Coccia, Emanuele, Gozem, Samer, Olivucci, Massimo, Guidoni, Leonardo
Publicado 2015

Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol

por Pedraza-González, Laura, Barneschi, Leonardo, Padula, Daniele, De Vico, Luca, Olivucci, Massimo
Publicado 2022

Quantum–classical simulations of rhodopsin reveal excited-state-population splitting and its effects on quantum efficiency

por Yang, Xuchun, Manathunga, Madushanka, Gozem, Samer, Léonard, Jérémie, Andruniów, Tadeusz, Olivucci, Massimo
Publicado 2022

Pro219 is an electrostatic color determinant in the light-driven sodium pump KR2

por Nakajima, Yuta, Pedraza-González, Laura, Barneschi, Leonardo, Inoue, Keiichi, Olivucci, Massimo, Kandori, Hideki
Publicado 2021

Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin

por Palombo, Riccardo, Barneschi, Leonardo, Pedraza-González, Laura, Padula, Daniele, Schapiro, Igor, Olivucci, Massimo
Publicado 2022

Red-shifting mutation of light-driven sodium-pump rhodopsin

por Inoue, Keiichi, del Carmen Marín, María, Tomida, Sahoko, Nakamura, Ryoko, Nakajima, Yuta, Olivucci, Massimo, Kandori, Hideki
Publicado 2019

Engineering the vibrational coherence of vision into a synthetic molecular device

por Gueye, Moussa, Manathunga, Madushanka, Agathangelou, Damianos, Orozco, Yoelvis, Paolino, Marco, Fusi, Stefania, Haacke, Stefan, Olivucci, Massimo, Léonard, Jérémie
Publicado 2018

Effect of charge-transfer enhancement on the efficiency and rotary mechanism of an oxindole-based molecular motor

por Pooler, Daisy R. S., Pierron, Robin, Crespi, Stefano, Costil, Romain, Pfeifer, Lukas, Léonard, Jérémie, Olivucci, Massimo, Feringa, Ben L.
Publicado 2021

A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction

por Nikolaev, Dmitrii M., Shtyrov, Andrey A., Panov, Maxim S., Jamal, Adeel, Chakchir, Oleg B., Kochemirovsky, Vladimir A., Olivucci, Massimo, Ryazantsev, Mikhail N.
Publicado 2018

Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins

por Luk, Hoi Ling, Bhattacharyya, Nihar, Montisci, Fabio, Morrow, James M., Melaccio, Federico, Wada, Akimori, Sheves, Mudi, Fanelli, Francesca, Chang, Belinda S. W., Olivucci, Massimo
Publicado 2016

On the fluorescence enhancement of arch neuronal optogenetic reporters

por Barneschi, Leonardo, Marsili, Emanuele, Pedraza-González, Laura, Padula, Daniele, De Vico, Luca, Kaliakin, Danil, Blanco-González, Alejandro, Ferré, Nicolas, Huix-Rotllant, Miquel, Filatov, Michael, Olivucci, Massimo
Publicado 2022

Towards the engineering of a photon-only two-stroke rotary molecular motor

por Filatov(Gulak), Michael, Paolino, Marco, Pierron, Robin, Cappelli, Andrea, Giorgi, Gianluca, Léonard, Jérémie, Huix-Rotllant, Miquel, Ferré, Nicolas, Yang, Xuchun, Kaliakin, Danil, Blanco-González, Alejandro, Olivucci, Massimo
Publicado 2022

Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor

por Filatov(Gulak), Michael, Paolino, Marco, Pierron, Robin, Cappelli, Andrea, Giorgi, Gianluca, Léonard, Jérémie, Huix-Rotllant, Miquel, Ferré, Nicolas, Yang, Xuchun, Kaliakin, Danil, Blanco-González, Alejandro, Olivucci, Massimo
Publicado 2022

Torsionally broken symmetry assists infrared excitation of biomimetic charge-coupled nuclear motions in the electronic ground state

por Chatterjee, Gourab, Jha, Ajay, Blanco-Gonzalez, Alejandro, Tiwari, Vandana, Manathunga, Madushanka, Duan, Hong-Guang, Tellkamp, Friedjof, Prokhorenko, Valentyn I., Ferré, Nicolas, Dasgupta, Jyotishman, Olivucci, Massimo, Miller, R. J. Dwayne
Publicado 2022

Design, Synthesis and Characterization of a Visible‐Light‐Sensitive Molecular Switch and Its PEGylation Towards a Self‐Assembling Molecule

por Paolino, Marco, Saletti, Mario, Reale, Annalisa, Licciardi, Mariano, Varvarà, Paola, Marquette, Arnaud, Léonard, Jérémie, Bonechi, Claudia, Donati, Alessandro, Giorgi, Gianluca, Giuliani, Germano, Carlotti, Benedetta, Ortica, Fausto, Latterini, Loredana, Gentile, Mariangela, Paccagnini, Eugenio, Olivucci, Massimo, Cappelli, Andrea
Publicado 2022

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

por Li Manni, Giovanni, Fdez. Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, Luis, Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, Delcey, Mickaël G., De Vico, Luca, Dobrautz, Werner, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov(Gulak), Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, López Ríos, Pablo, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S., Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Scott, Thais R., Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voß, Torben Arne, Weser, Oskar, Wu, Dihua, Yang, Xuchun, Yarkony, David, Zhou, Chen, Zobel, J. Patrick, Lindh, Roland
Publicado 2023