Browsing by Author Marin Perez, Maria Del Carmen

Showing results 1 to 7 of 7
Issue DateTitleAuthor(s)Third Mission
2019a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion PlacementPedraza-González, Laura Milena; De Vico, Luca ; Marin Perez, Maria Del Carmen ; Fanelli, Francesca; Olivucci, Massimo Not applicable
2019Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of RhodopsinsMarin Perez, Maria Del Carmen ; De Vico, Luca ; Dong, Sijia S.; Gagliardi, Laura; Truhlar, Donald G.; Olivucci, Massimo Not applicable
2017An average solvent electrostatic configuration protocol for QM/MM Free Energy Optimization: implementation and application to rhodopsin systemsOrozco-Gonzalez, Yoelvis; Manathunga, Madushanka; Marin Perez, Maria Del Carmen ; Agathangelou, Damianos; Jung, Kwang-Hwan; Melaccio, Federico; Ferré, Nicolas; Haacke, Stefan; Coutinho, Kaline; Canuto, Sylvio; Olivucci, Massimo Not applicable
2019Fluorescence enhancement of a microbial rhodopsin via electronic reprogrammingMarin Perez, Maria Del Carmen ; Agathangelou, Damianos; Orozco-Gonzalez, Yoelvis; Valentini, Alessio; Kato, Yoshitaka; Abe-Yoshizumi, Rei; Kandori, Hideki; Choi, Ahreum; Jung, Kwang-Hwan; Haacke, Stefan; Olivucci, Massimo Not applicable
2019Red-shifting mutation of light-driven sodium-pump rhodopsinInoue, K.; Marin Perez, Maria Del Carmen ; Tomida, S.; Nakamura, R.; Nakajima, Y.; Olivucci, Massimo ; Kandori, H.Not applicable
2018Systematic Excited State Studies of Reversibly Switchable Fluorescent ProteinsSmyrnova, Daryna; Marin Perez, Maria Del Carmen ; Olivucci, Massimo ; Ceulemans, ArnoutNot applicable
2020Web-ARM: a Web-Based Interface for the Automatic Construction of QM/MM Models of RhodopsinsPedraza-González, Laura Milena; Marin Perez, Maria Del Carmen ; Jorge, Alejandro Nicolas; Ruck, Tyler Douglas; Yang, Xuchun; Valentini, Alessio; Olivucci, Massimo ; De Vico, Luca Not applicable