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Modeling and Simulating Chemical Reactions [PDF]
SIAM Review, 2008 The author presents basic concepts in modelling, using the example of coupled chemical reactions. Four points are examplified: the necessity of modeling assumptions, the need of a multiscale analysis in order to cope with very different characteristic times of the system, a good understanding of deterministic versus probabilistic source of the models ...
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Química Nova, 2008 A diagnostic instrument was developed to evaluate the basic chemistry concepts held by freshmen students of the three Chemistry undergraduate courses offered by the University of São Paulo.
Carmen Fernandez +3 more
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Modification of N-terminal α-amine of proteins via biomimetic ortho-quinone-mediated oxidation
Nature Communications, 2021 Methods for selective modification of the N-terminus of proteins are of high interest, but mostly require specific amino acid residues. Here, the authors report a selective and fast method for N-terminal modification of proteins based on quinone-mediated
Siyao Wang +8 more
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Exploring chemical space — Generative models and their evaluation
Artificial Intelligence in the Life Sciences, 2023 Recent advances in the field of artificial intelligence, specifically regarding deep learning methods, have invigorated research into novel ways for the exploration of chemical space.
Martin Vogt
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eIF2B activator prevents neurological defects caused by a chronic integrated stress response
eLife, 2019 The integrated stress response (ISR) attenuates the rate of protein synthesis while inducing expression of stress proteins in cells. Various insults activate kinases that phosphorylate the GTPase eIF2 leading to inhibition of its exchange factor eIF2B ...
Yao Liang Wong +21 more
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Adjustment of equations to predict the metabolizable energy of corn for meat type quails
Semina: Ciências Agrárias, 2015 The metabolizable energy (ME) determination for foods used in quail diets, through metabolism assays, takes time, infrastructure and financial resources, which makes the development of prediction equations based on proximal composition of foods to ...
Tiago Junior Pasquetti +7 more
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On Quantitative Comparison of Chemical Reaction Network Models [PDF]
Electronic Proceedings in Theoretical Computer Science, 2019 Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations. Their dynamic
Ozan Kahramanoğulları
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INFLUENCE OF COMMERCIAL THERMAL TREATMENT ON Eucalyptus grandis Hill ex Maiden WOOD PROPERTIES
Revista Árvore, 2021 This study aimed to evaluate the influence of commercial thermal treatment on Eucalyptus grandis considering its physical, chemical, and mechanical properties.
Carolina Aparecida Barros Oliveira +4 more
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Parametric Kalman filter for chemical transport models
Tellus: Series A, Dynamic Meteorology and Oceanography, 2016 A computational simplification of the Kalman filter (KF) is introduced – the parametric Kalman filter (PKF). The full covariance matrix dynamics of the KF, which describes the evolution along the analysis and forecast cycle, is replaced by the dynamics ...
Olivier Pannekoucke +4 more
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Model Discrimination in Chemical Kinetics [PDF]
The Open Catalysis Journal, 2009 In studies on chemical kinetics, generally after the rate data have been taken, a mechanism and an associated rate law model are proposed based on the data taken. Frequently, more than one mechanism and rate law may be consis- tent with data. In order to find the correct rate law, regression techniques (model discrimination) are applied to indentify ...
Özdemir, Burcu, Gültekin, Selahattin
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