نتایج جستجو برای: nearest neighboring molecules
تعداد نتایج: 248407 فیلتر نتایج به سال:
DNA exhibits a surprising multiplicity of structures when it is packed into dense aggregates. It undergoes various polymorphous transitions (e.g., from the B to A form) and mesomorphous transformations (from hexagonal to orthorhombic or monoclinic packing, changes in the mutual alignment of nearest neighbors, etc). In this report we show that such phenomena may have their origin in the specific...
Allostery pervades macromolecular function and drives cooperative binding of ligands to macromolecules. To decipher the mechanisms of cooperative ligand binding it is necessary to define at a microscopic level the structural and thermodynamic consequences of binding of each ligand to its allosterically coupled site(s). However, dynamic sampling of alternative conformations (microstates) in allo...
An Investigation of the Geometrical Effects on the Thermal Conductivity of Graphene Antidot Lattices
In this work we investigate the thermal conductivity of graphene-based antidot lattices. A third nearest-neighbor tight-binding model and a forth nearest-neighbor force constant model are employed to study the electronic and phononic band structures of graphene-based antidot lattices. Ballistic transport models are used to evaluate the electronic and the thermal conductivities. Methods to reduc...
We report on the first experimental observation of dynamic localization of light in two-dimensional photonic lattices. We demonstrate suppression of beam diffraction in hexagonal lattices created by weakly coupled waveguides with axis bending. We also reveal that this effect is strongly related to dynamic localization in zigzag waveguide arrays with next-nearest neighboring interactions.
We generated two synthetic systems. The first system was ferromagnetic (all J ≥ 0) with 64 spins, where neighboring spins xi, xj have a nonzero interaction of Jij = 0.2 if adjacent on a 4 × 4 × 4 periodic lattice. This coupling strength equates to being slightly above the critical temperature, meaning the system will be highly correlated despite the underlying interactions being only nearest-ne...
Change in the spatial characteristics of forest openings was investigated in three forested watersheds in northwestern Siskiyou County, California totalling approximately 24,600 hectares. Watersheds with minimal human disturbance were chosen for study. However, fi;e suppression has been pervasive throughout. Characteristics of forest openings (area, perimeter, distance between neighboring openi...
We reconsider the problem of percolation on an equilibrium random network with degree-degree correlations between nearest-neighboring vertices focusing on critical singularities at a percolation threshold. We obtain criteria for degree-degree correlations to be irrelevant for critical singularities. We present examples of networks in which assortative and disassortative mixing leads to unusual ...
Recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. Various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). In this paper we report 3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles by using k-Nearest Neighbor Molecular Field Analysis...
Nearest neighbor queries, such as determining the proximity of stationary objects (e.g., restaurants and gas stations) are an important class of inquiries for supporting location-based services. We present a novel approach to support nearest neighbor queries from mobile hosts by leveraging the sharing capabilities of wireless ad-hoc networks. We illustrate how previous query results cached in t...
In the k-nearest neighbor (KNN) classifier, nearest neighbors involve only labeled data. That makes it inappropriate for the data set that includes very few labeled data. In this paper, we aim to solve the classification problem by applying transduction to the KNN algorithm. We consider two groups of nearest neighbors for each data point — one from labeled data, and the other from unlabeled dat...
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