Results 21 to 30 of about 9,251,104 (264)
Benchmark Force Fields for the Molecular Dynamic Simulation of G-Quadruplexes
Molecules, 2021 G-quadruplexes have drawn widespread attention for serving as a potential anti-cancer target and their application in material science. Molecular dynamics (MD) simulation is the key theoretical tool in the study of GQ’s structure-function relationship ...
Na Li, Ya Gao, Feng Qiu, Tong Zhu
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Improvement of the Force Field for β-d-Glucose with Machine Learning
Molecules, 2021 While the construction of a dependable force field for performing classical molecular dynamics (MD) simulation is crucial for elucidating the structure and function of biomolecular systems, the attempts to do this for glycans are relatively sparse ...
Makoto Ikejo +3 more
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A Robotic System to Deliver Multiple Physically Bimanual Tasks via Varying Force Fields
IEEE Transactions on Neural Systems and Rehabilitation Engineering, 2022 Individuals with physical limb disabilities are often restricted to perform activities of daily life (ADLs). While efficacy of bilateral training has been demonstrated in improving physical coordination of human limbs, few robots have been developed in ...
Mingming Zhang +3 more
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Molecules, 2022 The 3D-reference interaction site model (3D-RISM) molecular solvation theory in combination with the Kovalenko–Hirata (KH) closure is extended to seven heterocyclic liquids to understand their liquid states and to test the performance of the theory in ...
Dipankar Roy, Andriy Kovalenko
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Avian Information Systems: Developing Web-Based Bird Avoidance Models
Ecology and Society, 2008 Collisions between aircraft and birds, so-called "bird strikes," can result in serious damage to aircraft and even in the loss of lives. Information about the distribution of birds in the air and on the ground can be used to reduce the risk of bird ...
Judy Shamoun-Baranes +9 more
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Surfaces, Interfaces and Crystal Growth of Marcasite FeS2 [PDF]
Materials Research, 2021 Marcasite mineral is a metastable iron sulphide, α-FeS2, less known and less abundant than pyrite β-FeS2. Their chemical compositions are similar, formed by S22- dimers and Fe2+ species, but the marcasite crystal structure is orthorhombic while pyrite is
Corinne Arrouvel
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International Journal of Antennas and Propagation, 2012 Novel single negative metamaterial (MTM) transmission lines (TLs) are presented and studied in microstrip technology.
He-Xiu Xu +2 more
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Material Research of Rotary Sealing Device for Combined Cutting System
MATEC Web of Conferences, 2017 In order to solve the rotary sealing problem of rotary shaft in drum shearer combined cutting system, the material and structure of combined cutting system rotary sealing device needs to be selected and designed.
Rui Zeng +3 more
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Frontiers in Human Neuroscience, 2010 Motor control and adaptation are multi-determinate processes with complex interactions. This is reflected for example in the ambiguous nature of interactions during sequential adaptation of reaching under kinematics and dynamics perturbations.
Fritzie Arce +4 more
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Condensed Matter, 2022 Infrared (IR) spectroscopy is a valuable tool to obtain information about protein secondary structure. The far-infrared (FIR) spectrum is characterized by a complex combination of different molecular contributions which, for small molecules, may be ...
Nicole Luchetti, Velia Minicozzi
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