Detalhe da pesquisa
1.
Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of heliorhodopsin.
Phys Chem Chem Phys
; 26(13): 10343-10356, 2024 Mar 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38501246
2.
Correction: From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions.
Chem Soc Rev
; 52(13): 4515, 2023 Jul 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37350322
3.
From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions.
Chem Soc Rev
; 52(8): 2643-2687, 2023 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36970950
4.
Automatic Rhodopsin Modeling with Multiple Protonation Microstates.
J Phys Chem A
; 127(44): 9365-9380, 2023 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37877699
5.
Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem
; 23(1): e202100449, 2022 01 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34647400
6.
Design, Synthesis and Characterization of a Visible-Light-Sensitive Molecular Switch and Its PEGylation Towards a Self-Assembling Molecule.
Chemistry
; 28(50): e202201477, 2022 Sep 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35695822
7.
Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins.
J Chem Inf Model
; 60(3): 1481-1493, 2020 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31909998
8.
Modern quantum chemistry with [Open]Molcas.
J Chem Phys
; 152(21): 214117, 2020 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32505150
9.
Fluorescence Enhancement of a Microbial Rhodopsin via Electronic Reprogramming.
J Am Chem Soc
; 141(1): 262-271, 2019 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30532962
10.
Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches.
Faraday Discuss
; 221(0): 299-321, 2019 12 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-31544177
11.
Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor.
Photochem Photobiol Sci
; 18(9): 2259-2269, 2019 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31347633
12.
Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores.
Chem Rev
; 117(22): 13502-13565, 2017 Nov 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29083892
13.
Two-State, Three-Mode Parametrization of the Force Field of a Retinal Chromophore Model.
J Phys Chem A
; 123(9): 1710-1719, 2019 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30753077
14.
Molecular bases for the selection of the chromophore of animal rhodopsins.
Proc Natl Acad Sci U S A
; 112(50): 15297-302, 2015 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26607446
15.
Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins.
Proc Natl Acad Sci U S A
; 111(5): 1714-9, 2014 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-24449866
16.
Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model.
Angew Chem Int Ed Engl
; 56(14): 3842-3846, 2017 03 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28251753
17.
Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.
J Am Chem Soc
; 138(31): 9807-25, 2016 08 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-27322488
18.
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
J Comput Chem
; 37(5): 506-41, 2016 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26561362
19.
Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles.
Phys Chem Chem Phys
; 18(48): 32786-32795, 2016 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27878166
20.
A surface hopping algorithm for nonadiabatic minimum energy path calculations.
J Comput Chem
; 36(5): 312-20, 2015 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25564760