Application of amino acid ionic liquids for increasing the stability of DNA in long term storage
The structural stability of DNA is important because of its biological activity. DNAs due to
their inherent chemical properties are not stable in an aqueous solution, therefore, a long …
their inherent chemical properties are not stable in an aqueous solution, therefore, a long …
[HTML][HTML] On the potentials of sialic acid derivatives as inhibitors for the mumps virus: A molecular dynamics and quantum chemistry investigation
Mumps virus is an infectious pathogen causing major health problems for humans such as
encephalitis, orchitis, and parotitis. Therefore, designing an inhibitor for this virus is of great …
encephalitis, orchitis, and parotitis. Therefore, designing an inhibitor for this virus is of great …
Drug–DNA interaction, a joint DFT-D3/MD study on safranal as an anticancer and DNA nanostructure model
E Azarhazin, M Izadyar… - Canadian Journal of …, 2019 - cdnsciencepub.com
In this research, using a combination of quantum mechanics and molecular dynamic (MD)
simulations, the interaction of safranal (2, 6, 6-trimethylcyclohexa-1, 3-dien-1 …
simulations, the interaction of safranal (2, 6, 6-trimethylcyclohexa-1, 3-dien-1 …
Probing solvent–solvent and solute–solvent interactions in surfactant binary mixtures: solvatochromic parameters, preferential solvation, and quantum theory of atoms …
The behaviour of solvatochromic absorbance probes (4-nitroaniline, 4-nitroanisole, and
Reichardt's dye) within binary mixtures of polyethylene glycol p-(1, 1, 3, 3-tetramethylbutyl) …
Reichardt's dye) within binary mixtures of polyethylene glycol p-(1, 1, 3, 3-tetramethylbutyl) …
Probing the effects of the ester functional group, alkyl side chain length and anions on the bulk nanostructure of ionic liquids: a computational study
M Fakhraee, MR Gholami - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
The effects of ester addition on nanostructural properties of biodegradable ILs composed of
1-alkoxycarbonyl-3-alkyl-imidazolium cations ([C1COOCnC1im]+, n= 1, 2, 4) combined with …
1-alkoxycarbonyl-3-alkyl-imidazolium cations ([C1COOCnC1im]+, n= 1, 2, 4) combined with …
Development and Test of PBSA Solvation Models for Drug Design
T Niu - 2024 - d-scholarship.pitt.edu
The Poisson-Boltzmann Surface Area (PBSA) model was extensively used to predict
solvation free energy (SFE) and protein-ligand binding free energies, as well as to study …
solvation free energy (SFE) and protein-ligand binding free energies, as well as to study …
Proline cis–trans isomerization and its implications for the dimerization of analogues of cyclopeptide stylostatin 1: a combined computational and experimental study
C López-Martínez, P Flores-Morales, M Cruz… - Physical Chemistry …, 2016 - pubs.rsc.org
Cis and trans proline conformers are often associated with dramatic changes in the
biological function of peptides. A slow equilibrium between cis and trans Ile–Pro amide bond …
biological function of peptides. A slow equilibrium between cis and trans Ile–Pro amide bond …
Effects of the deglycosylation on the structure and activity of chloroperoxidase: Molecular dynamics simulation approach
MG Sangoli, MR Housaindokht… - Journal of Molecular …, 2020 - Elsevier
Chloroperoxidase (CPO) is a versatile fungal heme-thiolate protein that catalyzes a variety
of one electron and two-electron oxidations. Chloroperoxidase is a versatile fungal heme …
of one electron and two-electron oxidations. Chloroperoxidase is a versatile fungal heme …
The investigation of the structure and stability of catechol complexes with nitrate and hydrogen sulphate ions through theoretical study of hydrogen bond
M Badbedast, M Izadyar, M Gholizadeh - Nashrieh Shimi va Mohandesi …, 2019 - nsmsi.ir
In this research, the mechanism of complex formation between the catechol with the nitrate
and hydrogen sulfate through the hydrogen bond analysis has been investigated. All …
and hydrogen sulfate through the hydrogen bond analysis has been investigated. All …
NCI concept as a powerful tool to investigate the origin of Diels–Alder reaction accelerating inside the self-assembled softball nanoreactor
Thermodynamic and kinetic aspects of the Diels–Alder reaction between p–benzoquinone
(1) and cyclohexadiene (2) have been investigated inside the softball nanoreactor …
(1) and cyclohexadiene (2) have been investigated inside the softball nanoreactor …