Detalhe da pesquisa
1.
pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin.
Phys Chem Chem Phys
; 19(21): 14073-14084, 2017 May 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-28518188
2.
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
3.
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation.
J Comput Chem
; 36(22): 1698-708, 2015 Aug 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26140702
4.
Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology.
J Chem Theory Comput
; 12(12): 6020-6034, 2016 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-27779842