nanoscale molecular dynamics namd software package version 2 14 (Molecular Dynamics Inc)
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Molecular Dynamics Inc
nanoscale molecular dynamics namd software package version 2 14
Nanoscale Molecular Dynamics Namd Software Package Version 2 14, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/14+2+software+package/package+program/pmc12386356-172-5-6
Average 86 stars, based on 1 article reviews
Nanoscale Molecular Dynamics Namd Software Package Version 2 14, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/14+2+software+package/package+program/pmc12386356-172-5-6
Average 86 stars, based on 1 article reviews
nanoscale molecular dynamics namd software package version 2 14 - by Bioz Stars,
2026-11
86/100 stars
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other:Article Title: Conformational Changes in Polyampholyte Macrochains on the Surface of an Oblate Metallic Nanospheroid in Alternating Electric Field Article Snippet: Conformational changes in polyampholyte polypeptides adsorbed on the surface of an oblate metal nanospheroid with a periodic change in time of its polarity along the axis of rotation have been studied using the molecular dynamics method.. The radial distributions of polypeptide atoms, as well as the distributions of the linear density of polypeptide atoms along the nanospheroid rotation axis, are constructed.. The obtained conformational structures of polyampholytes were compared in the presence and in the absence of sodium and chlorine ions in water. Article Title: Conformational Rearrangements of Adsorbed Polyampholytes under Periodic Changes in Polarity of a Charged Prolate Gold Nanospheroid Article Snippet: Conformational rearrangements of polyampholytic polypeptides adsorbed on the surface of a charged prolate gold nanospheroid with a periodic change in time of its polarity along the rotation axis have been studied using molecular dynamics simulation.. The radial distributions of the density of polypeptide atoms in the equatorial region of the nanospheroid have been calculated, as well as the distributions of the linear density of polypeptide atoms along the major axis of the nanospheroid.. At a low simulation temperature, a girdle polyampholytic fringe was formed in the central region of the nanospheroid and its ordering by layers, depending on the type of units, occurred with an increase in the charge of the nanospheroid with a simultaneous increase in the width of the macromolecular fringe along the rotation axis. Article Title: Colloidal Quantum Dots: 3. Molecular Dynamics Simulation of Quantum Dot Structure Article Snippet: The results of molecular dynamics simulation of the crystal structure of the currently most studied CQDs, based on cadmium selenide nanoparticles, are presented, and issues concerning the structure of the ligand shell of these nanoparticles, primarily made of trioctylphosphine (TOP) and trioctylphosphine oxide (TOPO) molecules, which act as a medium and as precursors in the chemical reaction that results in the formation of CQDs, are discussed in detail.. DOI: 10.1134/S0018143924700176 3.1.. TOP and TOPO Ligand Shell As already detailed in the previous chapter, one of the main methods for the synthesis of semiconductor nanoparticles (NPs) with a narrow size distribution is high-temperature colloidal synthesis [1], which is carried out at temperatures of about 300°C in a special high-boiling solvent that exists in a liquid state at this temperature. Article Title: Synthetic polymers as substrates for a DNA-sliding clamp protein. Article Snippet: Article Title: Molecular engineering of complexation between RNA and biodegradable cationic gemini surfactants: role of the hydrophobic chain length Article Snippet: The transfection efficiency of a material into cells is directly related to the success rate of gene therapy.. Synthetic lipid-like molecules, comparable with the components of biological membranes, are used for this purpose due to their high effectiveness and low toxicity.. In gene therapy, cationic gemini surfactants have shown great promise as delivery system components for genetic material due to their favorable physicochemical properties (low toxicity, low critical micelle concentration (CMC), and positive head groups). Article Title: Molecular dynamics simulations explore effects of electric field orientations on spike proteins of SARS-CoV-2 virions Article Snippet: A 12 Å cutoff was used for nonbonded interactions with a smoothing function implemented after 10 Å. Software:Article Title: Calcitriol Induces Paraoxonase 1 Expression in HepG2 Cells: Possible Involvement of VDR-Dependent and Alternative Pathways Article Snippet: Molecular dynamics (MD) simulations of 20 ns were conducted to explore the stability and dynamic behavior of the PON1–calcitriol complex. .. Simulations were performed using the |