نتایج جستجو برای: Nanomolecular simulation

تعداد نتایج: 559049  

Journal: :journal of physical & theoretical chemistry 2011
f. mollaamin t. nejadsattari i. layali

potassium channels allow potassium flux and are essential for the generation of electric current acrossexcitable membranes. potassium channels are also the targets of various intracellular controlmechanisms; such that the suboptimal regulation of channel function might be related to pathologicalconditions. realistic studies of ion current in biologic channels present a major challenge for compu...

2002
Mukerrem Demir Michael H B Stowell

We describe the design and production of a tobacco mosiac virus mutant that provides for specific and stoichiometric attachment of a wide variety of ligand-linker groups. As a result, specific ligands could be chemoselectively linked to the virion to produce highly diverse nanomolecular materials. These included semi-crystalline protein arrays and metallic ‘nanopipes’, as well as nanomolecular ...

Journal: :Physical review letters 2006
Byoung-Young Choi Se-Jong Kahng Seungchul Kim Hajin Kim Hyo Won Kim Young Jae Song Jisoon Ihm Young Kuk

We propose to utilize azobenzene as a nanomolecular switch which can be triggered by transmitting electrons above threshold biases. The effect is explained by an electron impact trans-cis conformational change of the isolated azobenzene molecules. The molecular electronic states of both isomers have been measured with spatially resolved scanning tunneling microscopy or spectroscopy, leading to ...

Journal: :Journal of cancer research and therapeutics 2006
Shantesh Hede Nagraj Huilgol

Materials at nano dimensions exhibit totally different properties compared to their bulk and atomic states. This feature has been harnessed by scientists from various disciplines, to develop functional nanomaterials for cancer diagnosis and therapeutics. The success stories range from delivering chemotherapeutic molecules in nano-sized formulations to functional nanomaterials, which deliver the...

2005
Rosa Di Felice Arrigo Calzolari Daniele Varsano Angel Rubio

The electronic structure constitutes the fundamentals on which a reliable quantitative knowledge of the electrical properties of materials should be based. Here, we first present an overview of the methods employed to elucidate the ground-state electronic properties, with an emphasis on the results of Density Functional Theory (DFT) calculations on selected cases of (bio)molecular nanostructure...

Journal: :Physical Chemistry Chemical Physics 2021

We investigate the diffusive dynamics of nanomolecular probes in supercooled water and find that, contrary to pure water, Stokes–Einstein relation is preserved for independent size, from 100 nm ?1 polyhydroxylated fullerenes.

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