Detalhe da pesquisa
1.
Computational insights into the sorption mechanism of environmental contaminants by carbon nanoparticles through molecular dynamics simulation and density functional theory.
Phys Chem Chem Phys;
22(46): 27308-27319, 2020 Dec 07.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33230511
2.
Molecular dynamics simulation and QM/MM calculation reveal the selectivity mechanism of type I 1/2 kinase inhibitors: the effect of intramolecular H-bonds and conformational restriction for improved selectivity.
Phys Chem Chem Phys;
21(43): 24147-24164, 2019 Nov 07.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31657381
3.
Transdermal Cubic Phases of Metformin Hydrochloride: In Silico and in Vitro Studies of Delivery Mechanisms.
Mol Pharm;
15(8): 3121-3132, 2018 08 06.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29979604
4.
Sex Pheromone Receptor-Derived Peptide Biosensor for Efficient Monitoring of the Cotton Bollworm Helicoverpa armigera.
ACS Sens;
8(1): 363-371, 2023 01 27.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36607353
5.
Computational insights into the binding pattern of mitochondrial calcium uniporter inhibitor through homology modeling, molecular dynamics simulation, binding free energy prediction and density functional theory calculation.
J Biomol Struct Dyn;
38(17): 5095-5107, 2020 Oct.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31755365
6.
Probing a dipeptide-based supramolecular assembly as an efficient camptothecin delivering carrier for cancer therapy: computational simulations and experimental validations.
Nanoscale;
11(9): 3864-3876, 2019 Feb 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30758022
7.
Co-amorphous solid dispersion systems of lacidipine-spironolactone with improved dissolution rate and enhanced physical stability.
Asian J Pharm Sci;
14(1): 95-103, 2019 Jan.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32104442