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Computer Modeling and Machine Learning in Chemistry and Materials Science: From Properties and Reactions of Small Organic and Inorganic Molecules to the Smart Design of Polymers and Composites
Published 2023-08-01Subjects: “…computer modeling…”
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1662
The most relevant human brain regions for functional connectivity: Evidence for a dynamical workspace of binding nodes from whole-brain computational modelling
Published 2016“…Here, we use causal whole-brain computational modelling to determine the functional dynamical significance of the rich club and compare this to a new measure of the most functionally relevant brain regions for binding information over time (“dynamical workspace of binding nodes”). …”
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1663
Simulation of the effects of extracellular calcium changes leads to a novel computational model of human ventricular action potential with a revised calcium handling
Published 2020“…However, most of the human AP computer models available in literature were developed with constant electrolyte concentrations, and fail to simulate physiological changes induced by electrolyte variations. …”
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Computer simulation of fir forest dynamics in the Bieszczady Mountains in response to climate change
Published 2002-10-01Subjects: Get full text
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1667
Biomass Combustion Modeling Using OpenFOAM: Development of a Simple Computational Model and Study of the Combustion Performance of <i>Lippia origanoides</i> Bagasse
Published 2023-03-01“…Aiming to contribute to knowledge of the potential of residual biomass for energy generation, this work reports on the implementation of a 2D computational model to study the combustion performance of several solid biomass fuels, and its application in the analysis of <i>Lippia origanoides</i> bagasse combustion. …”
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Reduced Bone Regeneration in Rats With Type 2 Diabetes Mellitus as a Result of Impaired Stromal Cell and Osteoblast Function—A Computer Modeling Study
Published 2023-11-01“…A previously validated in silico computer modeling approach that was capable of explaining bone regeneration in uneventful conditions of healing was further developed to investigate bone regeneration in T2DM. …”
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Uranium (VI) Adsorbate Structures on Portlandite [Ca(OH)<sub>2</sub>] Type Surfaces Determined by Computational Modelling and X-ray Absorption Spectroscopy
Published 2021-11-01“…This study combined X-ray Absorption Spectroscopy with computational modelling in order to provide atomic-scale data which improves our understanding of how a critically important radionuclide (U) will be adsorbed onto this phase under conditions relevant to a GDF environment. …”
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A neuro-inspired computational model of life-long learning and catastrophic interference, mimicking hippocampus novelty-based dopamine modulation and lateral inhibitory plasticity
Published 2022-09-01“…Here, we propose a neuro-inspired firing-rate computational model involving the hippocampus and surrounding areas, that encompasses two key mechanisms possibly underlying this capability. …”
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Information Computer Modeling as a Systemic Concept in Constructing a Course of Computer Science at the Level of Basic General Education Based on the Use of Free Software
Published 2023-03-01Subjects: “…computer modeling…”
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1678
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Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy
Published 2015-12-01Subjects: Get full text
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