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Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics
(Amer Chemical Soc, 2013)
Molecular dynamics simulations and quantum-mechanical calculations were performed to characterize a supra-molecular tris(imidazolyl) calix[6]arene Zn2+ aqua complex as a biomimetic model for the catalyzed hydration of ...
Drying of polyacrylamide-multiwalled carbon nanotube (MWNT) composites with various MWNTs contents: a fluorescence study
(Walter De Gruyter Gmbh, 2013)
We studied the drying of polyacrylamide (PAAm)-multiwalled carbon nanotube (MWNT) composites prepared by free radical crosslinking copolymerization in water with a steady state fluorescence technique. Composite gels were ...
Crossover from Vibrational to Rotational Collectivity in Heavy Nuclei in the Shell-Model Monte Carlo Approach
(Amer Physical Soc., 2013)
Heavy nuclei exhibit a crossover from vibrational to rotational collectivity as the number of neutrons or protons increases from shell closure towards midshell but the microscopic description of this crossover has been a ...
A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations
(Public Library Science, 2015)
Irreversible inactivation of human acetylcholinesterase (hAChE) by organophosphorous pesticides (OPs) and chemical weapon agents (CWA) has severe morbidity and mortality consequences. We present data from quantum ...
Fractal Dimensions of kappa-Carrageenan Gels during Gelation and Swelling
(Taylor & Francis Inc, 2018)
A photon scattering technique for research on the sol-gel and gel-sol transitions in kappa-carrageenan-water systems with various carrageenan contents (CC) was utilized for characterizing the fractal dimensions during ...
Fluorescence quenching method for monitoring oxygen diffusion into PS/CNT composite films
(Elsevier Science SA, 2013)
Oxygen permeabilities of nanocomposite films consisting of multi wall carbon nanotubes (MWNT) and polystyrene (PS) were determined to investigate the oxygen diffusion depending on MWNT and temperature. A method which is ...
Transmembrane helix 6 observed at the interface of beta(2)AR homodimers in blind docking studies
(Taylor & Francis Inc, 2015)
Peptide- and protein-protein dockings were carried out on beta(2)-adrenergic receptor (beta(2)AR) to confirm the presence of transmembrane helix 6 (TM6) at the interface region between two beta(2)AR monomers thereby its ...
Measurement of oxygen diffusion in PS/PNIPAM films using fluorescence quenching
(Taylor & Francis Ltd, 2015)
The diffusion of oxygen into pyrene labelled polystyrene (PS) latex/poly(N-isopropylacrylamide) (PNIPAM) composite films (PS/PNIPAM) was studied based on PS content with the use of fluorescence quenching method. Fluorescence ...
Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities
(Taylor & Francis Inc, 2019)
Parkinson's disease (PD) is characterized by the loss of dopamine-generating neurons in the substantia nigra and corpus striatum. Current treatments alleviate PD symptoms rather than exerting neuroprotective effect on ...
Group behaviour in physical chemical and biological systems
(Indıan Acad Scıences, 2014)
Groups exhibit properties that either are not perceived to exist or perhaps cannot exist at the individual level. Such 'emergent' properties depend on how individuals interact both among themselves and with their surroundings. ...