Detalhe da pesquisa
1.
Porphyrin-based ligand interaction with G-quadruplex: Metal cation effects.
J Mol Recognit
; 36(8): e3017, 2023 08.
Artigo
Inglês
| MEDLINE | ID: mdl-37025015
2.
How a protein can remain stable in a solvent with high content of urea: insights from molecular dynamics simulation of Candida antarctica lipase B in urea : choline chloride deep eutectic solvent.
Phys Chem Chem Phys
; 16(28): 14882-93, 2014 Jul 28.
Artigo
Inglês
| MEDLINE | ID: mdl-24930496
3.
Investigating the combined effect of copper, zinc, and iron ions on truncated and full-length Aß peptides: insights from molecular dynamics simulation.
J Biomol Struct Dyn
; : 1-9, 2024 Jan 08.
Artigo
Inglês
| MEDLINE | ID: mdl-38189361
4.
Modeling and characterization of lenalidomide-loaded tripolyphosphate-crosslinked chitosan nanoparticles for anticancer drug delivery.
Int J Biol Macromol
; 260(Pt 1): 129360, 2024 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-38218265
5.
New hybrids based on benzimidazole and diazepine moieties: design, synthesis, characterization, molecular docking studies and their in vitro interactions with benzodiazepine receptors.
J Biomol Struct Dyn
; 41(18): 8729-8737, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-36271637
6.
A comprehensive computer simulation insight into inhibitory mechanisms of EGCG and NQTrp ligands on amyloid-beta assemblies as the Alzheimer's disease insignia.
J Biomol Struct Dyn
; 41(20): 10830-10839, 2023 12.
Artigo
Inglês
| MEDLINE | ID: mdl-36576270
7.
Acetyl-11-keto-ß-boswellic acid derivatives effects on 5-lipoxygenase: In silico viewpoint.
J Mol Graph Model
; 94: 107464, 2020 01.
Artigo
Inglês
| MEDLINE | ID: mdl-31593921
8.
Effects of the deglycosylation on the structure and activity of chloroperoxidase: Molecular dynamics simulation approach.
J Mol Graph Model
; 97: 107570, 2020 06.
Artigo
Inglês
| MEDLINE | ID: mdl-32097885
9.
The investigation of the G-quadruplex aptamer selectivity to Pb2+ ion: a joint molecular dynamics simulation and density functional theory study.
J Biomol Struct Dyn
; 38(12): 3659-3675, 2020 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-31496379
10.
Application of response surface modeling and chemometrics methods for the determination of Atenolol, Metoprolol and Propranolol in blood sample using dispersive liquid-liquid microextraction combined with HPLC-DAD.
J Chromatogr B Analyt Technol Biomed Life Sci
; 1132: 121823, 2019 Nov 15.
Artigo
Inglês
| MEDLINE | ID: mdl-31704621
11.
The effect of different alcohols on the Asp23-Lys28 and Asp23-Ala42 salt bridges of the most effective peptide in Alzheimer's disease: Molecular dynamics viewpoints.
J Mol Graph Model
; 86: 199-208, 2019 01.
Artigo
Inglês
| MEDLINE | ID: mdl-30388694
12.
Study of alpha-amylase and gold nanoparticles interaction at two different temperatures through molecular dynamics.
J Mol Graph Model
; 88: 273-281, 2019 05.
Artigo
Inglês
| MEDLINE | ID: mdl-30798207
13.
A simple paper-based aptasensor for ultrasensitive detection of lead (II) ion.
Anal Chim Acta
; 1071: 70-77, 2019 Sep 13.
Artigo
Inglês
| MEDLINE | ID: mdl-31128757
14.
Does high pressure have any effect on the structure of alpha amylase and its ability to binding to the oligosaccharides having 3-7 residues? Molecular dynamics study.
J Mol Graph Model
; 80: 85-94, 2018 03.
Artigo
Inglês
| MEDLINE | ID: mdl-29328994
15.
Simultaneous detection and determination of mercury (II) and lead (II) ions through the achievement of novel functional nucleic acid-based biosensors.
Biosens Bioelectron
; 116: 130-147, 2018 Sep 30.
Artigo
Inglês
| MEDLINE | ID: mdl-29879539
16.
Spectroscopic and DFT investigation of interactions between cyclophosphamide and aspirin with lysozyme as binary and ternary systems.
J Biomol Struct Dyn
; 33(8): 1669-81, 2015.
Artigo
Inglês
| MEDLINE | ID: mdl-25301295
17.
Investigation of the behavior of HSA upon binding to amlodipine and propranolol: Spectroscopic and molecular modeling approaches.
Spectrochim Acta A Mol Biomol Spectrosc
; 85(1): 79-84, 2012 Jan.
Artigo
Inglês
| MEDLINE | ID: mdl-22024455