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Article
Blockchain-based collaborative business process data sharing and access control
To solve the problems of large-scale data storage and reliable access control in blockchain-based collaborative business process executions with multiple participants and internet of things (IoT) devices, an i...
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Article
Structural, transport, thermal, and electrochemical properties of (La1−xSrx)2CoO4±δ cathode in solid-oxide fuel cells
Layered perovskite (La1−xSrx)2CoO4±δ (x = 0.3, 0.4, 0.5) oxides were prepared using sol–gel route and evaluated as the cathode materials for intermediate-temperature solid-oxide fuel cells. (La1−xSrx)2CoO4±δ has ...
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Article
Open AccessMechanistic insight into the functional transition of the enzyme guanylate kinase induced by a single mutation
Dramatic functional changes of enzyme usually require scores of alterations in amino acid sequence. However, in the case of guanylate kinase (GK), the functional novelty is induced by a single (S→P) mutation, ...
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Chapter
Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes
The G-quadruplex DNA formed by the stack of guanines in human telomere sequence is a promising anticancer target. In this study we used the energy landscape theory to elucidate the folding mechanisms for the t...
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Chapter
Binding Modes and Interaction Mechanism Between Different Base Pairs and Methylene Blue Trihydrate: A Quantum Mechanics Study
Different quantum mechanic methods have been evaluated for the calculation of binding modes and interactions between intercalators with different DNA base pairs by comparing with the results of MP2, which is v...
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Chapter
Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model
Most proteins need to avoid the complex topologies when folding into the native structures, but some proteins with nontrivial topologies have been found in nature. Here we used protein unfolding simulations un...
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Article
Coarse-grained simulations for organic molecular liquids based on Gay-Berne and electric multipole potentials
Coarse-grained studies of CH3SH, CH3CHO and CHCl3 liquids, based on anisotropic Gay-Berne (GB) and electric multipole potentials (EMP), demonstrate that the coarse-grained model is able to qualitatively reproduce...
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Chapter
Observations on the JWKB treatment of the quadratic barrier
Historically, the “lowest-order” JWKB “parabolic” connection formula between the left and right classically allowed regions for tunneling through a parabolic barrier involved a rather non-JWKB-like square-root ...