Predicting both thermodynamic and kinetic properties of crystallizing molecules via transformer‐based language model
Sign Up to like & getrecommendations! Published in 2025 at "AIChE Journal"
DOI: 10.1002/aic.18923
Abstract: Crystallization is pivotal in the chemical and pharmaceutical industry, affecting particle stability, and drug release. Crystal size distribution (CSD), a critical attribute of the final dosage form, is determined by the molecular structure of the… read more here.
Keywords: predicting thermodynamic; properties crystallizing; kinetic properties; language ... See more keywords
Characterization of ligand binding to melanocortin 4 receptors using fluorescent peptides with improved kinetic properties
Sign Up to like & getrecommendations! Published in 2017 at "European Journal of Pharmacology"
DOI: 10.1016/j.ejphar.2017.01.040
Abstract: Abstract Melanocortin 4 (MC4) receptors are important drug targets as they regulate energy homeostasis, eating behaviour and sexual functions. The ligand binding process to these G protein‐coupled receptors is subject to considerable complexity. Different steps… read more here.
Keywords: ligand binding; mc4 receptors; melanocortin mc4; kinetic properties ... See more keywords
Facile synthesis of a Ni3S2@C composite using cation exchange resin as an efficient catalyst to improve the kinetic properties of MgH2
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Magnesium and Alloys"
DOI: 10.1016/j.jma.2021.03.013
Abstract: Abstract Carbon materials have excellent catalytic effects on the hydrogen storage performance of MgH2. Here, carbon-supported Ni3S2 (denoted as Ni3S2@C) was synthesized by a facile chemical route using ion exchange resin and nickel acetate tetrahydrate… read more here.
Keywords: properties mgh2; ni3s2; kinetic properties; exchange resin ... See more keywords
Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00714
Abstract: To analyze the impact of various technical details on the results of quantum mechanical (QM)/molecular mechanical (MM) enzyme simulations, including the QM region size, catechol-O-methyltransferase (COMT) is studied as a model system using an approximate… read more here.
Keywords: equilibrium kinetic; kinetic properties; region; factors determine ... See more keywords
Independent control of the thermodynamic and kinetic properties of aptamer switches
Sign Up to like & getrecommendations! Published in 2019 at "Nature Communications"
DOI: 10.1038/s41467-019-13137-x
Abstract: Molecular switches that change their conformation upon target binding offer powerful capabilities for biotechnology and synthetic biology. Aptamers are useful as molecular switches because they offer excellent binding properties, undergo reversible folding, and can be… read more here.
Keywords: thermodynamic kinetic; properties aptamer; aptamer switches; independent control ... See more keywords
Mechanisms of starch digestion by α-amylase—Structural basis for kinetic properties
Sign Up to like & getrecommendations! Published in 2017 at "Critical Reviews in Food Science and Nutrition"
DOI: 10.1080/10408398.2014.922043
Abstract: ABSTRACT Recent studies of the mechanisms determining the rate and extent of starch digestion by α-amylase are reviewed in the light of current widely-used classifications for (a) the proportions of rapidly-digestible (RDS), slowly-digestible (SDS), and… read more here.
Keywords: starch; digestion amylase; digestion; rate ... See more keywords
Exploring natural genetic variation in tomato sucrose synthases on the basis of increased kinetic properties
Sign Up to like & getrecommendations! Published in 2018 at "PLoS ONE"
DOI: 10.1371/journal.pone.0206636
Abstract: Sucrose synthase (SuSy) is one key enzyme directly hydrolyzing sucrose to supply substrates for plant metabolism, and is considered to be a biomarker for plant sink strength. Improvement in plant sink strength could lead to… read more here.
Keywords: variation; plant; haplotype; kinetic properties ... See more keywords
Immobilization and Kinetic Properties of ß-N-Acetylhexosaminidase from Penicillium oxalicum
Sign Up to like & getrecommendations! Published in 2024 at "Catalysts"
DOI: 10.3390/catal14100725
Abstract: The application of immobilized enzymes often plays a key role in successfully implementing an economically feasible biocatalytic process at an industrial scale. Designing an immobilized biocatalyst involves solving several tasks, from the selection of the… read more here.
Keywords: immobilization kinetic; acetylhexosaminidase penicillium; kinetic properties; penicillium oxalicum ... See more keywords
Molecular Dynamics Simulations of CeO2 Nano-Fuel: Thermodynamic and Kinetic Properties
Sign Up to like & getrecommendations! Published in 2025 at "Symmetry"
DOI: 10.3390/sym17020296
Abstract: This study explores the thermodynamic and kinetic properties of CeO2 nano-fuels, with a particular focus on the influence of nanoparticle additives on the diffusion and thermal conductivity of C14-based fuel systems. Using molecular dynamics simulations… read more here.
Keywords: fuel; dynamics simulations; kinetic properties; ceo2 nano ... See more keywords