Detalhe da pesquisa
1.
Atomistic insight into the luminal allosteric regulation of vesicular glutamate transporter 2 by chloride and protons: An all-atom molecular dynamics simulation study.
Proteins
; 90(12): 2045-2057, 2022 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35799372
2.
Insight into the Microcosm of the Human Growth Hormone and Its Interactions with Polymers and Copolymers: A Molecular Dynamics Perspective.
Langmuir
; 37(1): 90-104, 2021 01 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33356301
3.
Molecular Insight into the Interaction between Camptothecin and Acyclic Cucurbit[4]urils as Efficient Nanocontainers in Comparison with Cucurbit[7]uril: Molecular Docking and Molecular Dynamics Simulation.
J Chem Inf Model
; 60(3): 1791-1803, 2020 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31944098
4.
A cyclic peptide reproducing the α1 helix of VEGF-B binds to VEGFR-1 and VEGFR-2 and inhibits angiogenesis and tumor growth.
Biochem J
; 476(4): 645-663, 2019 02 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-30700502
5.
Computational insights into pH-dependence of structure and dynamics of pyrazinamidase: A comparison of wild type and mutants.
J Cell Biochem
; 120(2): 2502-2514, 2019 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-30304542
6.
Molecular Self-Assembly Strategy for Encapsulation of an Amphipathic α-Helical Antimicrobial Peptide into the Different Polymeric and Copolymeric Nanoparticles.
J Chem Inf Model
; 59(1): 550-563, 2019 01 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30475620
7.
Molecular Basis for Membrane Selectivity of Antimicrobial Peptide Pleurocidin in the Presence of Different Eukaryotic and Prokaryotic Model Membranes.
J Chem Inf Model
; 59(7): 3262-3276, 2019 07 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31287686
8.
Molecular insights into the interactions of GF-17 with the gram-negative and gram-positive bacterial lipid bilayers.
J Cell Biochem
; 119(11): 9205-9216, 2018 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30076752
9.
Understanding the interactions of human follicle stimulating hormone with single-walled carbon nanotubes by molecular dynamics simulation and free energy analysis.
Eur Biophys J
; 47(1): 49-57, 2018 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-28620743
10.
The antiangiogenic and antitumor activities of the N-terminal fragment of endostatin augmented by Ile/Arg substitution: The overall structure implicated the biological activity.
Biochim Biophys Acta
; 1864(12): 1765-1774, 2016 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-27693049
11.
Identification of the Crucial Residues in the Early Insertion of Pardaxin into Different Phospholipid Bilayers.
J Chem Inf Model
; 57(4): 929-941, 2017 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28301157
12.
An in silico approach to investigate the source of the controversial interpretations about the phenotypic results of the human AhR-gene G1661A polymorphism.
J Theor Biol
; 393: 1-15, 2016 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26776670
13.
Effect of sorbitol and glycerol on the stability of trypsin and difference between their stabilization effects in the various solvents.
Biotechnol Appl Biochem
; 63(2): 206-13, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-25757511
14.
Comparative study of the interactions between C60 fullerene and SARS-CoV-2, HIV, eukaryotic, and bacterial model membranes: Insights into antimicrobial strategies with C60-peptide hybrids.
Int J Biol Macromol
; 271(Pt 2): 132399, 2024 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38754684
15.
Chemical Modification of the Amino Groups of Human Insulin: Investigating Structural Properties and Amorphous Aggregation of Acetylated Species.
Protein J
; 42(4): 383-398, 2023 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37395911
16.
A Survey of Gasoline Ameliorator, Methyl-Tert-Butyl Ether (MTBE) on Bovine Serum Albumin: A Spectroscopy and Molecular Dynamic Simulation Study.
Iran J Biotechnol
; 20(3): e3111, 2022 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-36381278
17.
Molecular insights into the crystalline nanocellulose and human lysozyme interactions: An experimental and theoretical research.
Int J Biol Macromol
; 213: 83-95, 2022 Jul 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-35598725
18.
Effects of osmolytes on the helical conformation of model peptide: molecular dynamics simulation.
J Chem Phys
; 134(3): 035104, 2011 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-21261393
19.
Effect of the Met148Leu mutation on the structure and dynamics of the rusticyanin protein from Acidithiobacillus sp. FJ2.
J Biomol Struct Dyn
; 39(11): 4122-4132, 2021 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-32462978
20.
Molecular Insights into Pore Formation Mechanism, Membrane Perturbation, and Water Permeation by the Antimicrobial Peptide Pleurocidin: A Combined All-Atom and Coarse-Grained Molecular Dynamics Simulation Study.
J Phys Chem B
; 125(26): 7163-7176, 2021 07 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-34171196