Detalhe da pesquisa
1.
Tuning the low-temperature phase behavior of aqueous ionic liquids.
Phys Chem Chem Phys
; 26(12): 9741-9753, 2024 Mar 20.
Artigo
Inglês
| MEDLINE | ID: mdl-38470827
2.
Mechanism and Dynamics of Photodecarboxylation Catalyzed by Lactate Monooxygenase.
J Am Chem Soc
; 145(24): 13232-13240, 2023 06 21.
Artigo
Inglês
| MEDLINE | ID: mdl-37289179
3.
A statistical mechanical model of supercooled water based on minimal clusters of correlated molecules.
J Chem Phys
; 159(9)2023 Sep 07.
Artigo
Inglês
| MEDLINE | ID: mdl-37655770
4.
Plasmon-enhanced circular dichroism spectroscopy of chiral drug solutions.
J Chem Phys
; 159(15)2023 Oct 21.
Artigo
Inglês
| MEDLINE | ID: mdl-37846957
5.
Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem II.
Angew Chem Int Ed Engl
; 62(16): e202216276, 2023 04 11.
Artigo
Inglês
| MEDLINE | ID: mdl-36791234
6.
A general statistical mechanical model for fluid system thermodynamics: Application to sub- and super-critical water.
J Chem Phys
; 156(4): 044506, 2022 Jan 28.
Artigo
Inglês
| MEDLINE | ID: mdl-35105084
7.
Segregation on the nanoscale coupled to liquid water polyamorphism in supercooled aqueous ionic-liquid solution.
J Chem Phys
; 155(10): 104502, 2021 Sep 14.
Artigo
Inglês
| MEDLINE | ID: mdl-34525825
8.
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures.
J Chem Phys
; 154(8): 084105, 2021 Feb 28.
Artigo
Inglês
| MEDLINE | ID: mdl-33639764
9.
Allosteric Control of Naphthalene Diimide Encapsulation and Electron Transfer in Porphyrin Containers: Photophysical Studies and Molecular Dynamics Simulation.
Chemistry
; 26(72): 17514-17524, 2020 Dec 23.
Artigo
Inglês
| MEDLINE | ID: mdl-32845572
10.
Cooperative protein-solvent tuning of proton transfer energetics: carbonic anhydrase as a case study.
Phys Chem Chem Phys
; 22(35): 19975-19981, 2020 Sep 16.
Artigo
Inglês
| MEDLINE | ID: mdl-32857091
11.
Length-scale dependence of protein hydration-shell density.
Phys Chem Chem Phys
; 22(14): 7340-7347, 2020 Apr 14.
Artigo
Inglês
| MEDLINE | ID: mdl-32211621
12.
Modeling amino-acid side chain infrared spectra: the case of carboxylic residues.
Phys Chem Chem Phys
; 22(5): 3008-3016, 2020 Feb 07.
Artigo
Inglês
| MEDLINE | ID: mdl-31957772
13.
Tip-Enhanced Infrared Difference-Nanospectroscopy of the Proton Pump Activity of Bacteriorhodopsin in Single Purple Membrane Patches.
Nano Lett
; 19(5): 3104-3114, 2019 05 08.
Artigo
Inglês
| MEDLINE | ID: mdl-30950626
14.
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties.
J Comput Chem
; 39(22): 1747-1756, 2018 08 15.
Artigo
Inglês
| MEDLINE | ID: mdl-29756218
15.
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory.
Phys Chem Chem Phys
; 20(37): 24369-24378, 2018 Oct 07.
Artigo
Inglês
| MEDLINE | ID: mdl-30215645
16.
Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species.
J Biol Inorg Chem
; 22(4): 615-623, 2017 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-28378164
17.
Extending the essential dynamics analysis to investigate molecular properties: application to the redox potential of proteins.
Phys Chem Chem Phys
; 18(27): 18450-9, 2016 Jul 21.
Artigo
Inglês
| MEDLINE | ID: mdl-27339768
18.
Photoexcitation and relaxation kinetics of molecular systems in solution: towards a complete in silico model.
Phys Chem Chem Phys
; 18(41): 28919-28931, 2016 Oct 19.
Artigo
Inglês
| MEDLINE | ID: mdl-27725986
19.
A few key residues determine the high redox potential shift in azurin mutants.
Org Biomol Chem
; 13(45): 11003-13, 2015 Dec 07.
Artigo
Inglês
| MEDLINE | ID: mdl-26381463
20.
Surface packing determines the redox potential shift of cytochrome c adsorbed on gold.
J Am Chem Soc
; 136(37): 12929-37, 2014 Sep 17.
Artigo
Inglês
| MEDLINE | ID: mdl-25184441