Detalhe da pesquisa
1.
Absorption behavior of doxorubicin hydrochloride in visible region in different environments: a combined experimental and computational study.
Phys Chem Chem Phys;
24(19): 12027-12035, 2022 May 18.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35536553
2.
Complexation and organization of doxorubicin on polystyrene sulfonate chains: impacts on doxorubicin dimerization and quenching.
Phys Chem Chem Phys;
24(42): 25990-25998, 2022 Nov 02.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36263861
3.
Theoretical Modeling of Redox Potentials of Biomolecules.
Molecules;
27(3)2022 Feb 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35164342
4.
A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole.
Molecules;
27(23)2022 Nov 22.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36500228
5.
Modeling the temperature dependence of the fluorescence properties of Indole in aqueous solution.
Spectrochim Acta A Mol Biomol Spectrosc;
313: 124096, 2024 May 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38442616
6.
PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method.
J Chem Theory Comput;
19(1): 33-41, 2023 Jan 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36378163
7.
Unveiling the Excited State Dynamics of Indole in Solution.
J Chem Theory Comput;
19(13): 4114-4124, 2023 Jul 11.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37329333
8.
A study of cyanidin/alginate complexation: Influence of pH in assembly and chiral properties.
Carbohydr Polym;
315: 120957, 2023 Sep 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37230610
9.
Computational Modeling of the Thermodynamics of the Mesophilic and Thermophilic Mutants of Trp-Cage Miniprotein.
ACS Omega;
7(16): 13448-13454, 2022 Apr 26.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35559192
10.
Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules;
12(1)2021 12 31.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35053203