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Quantitative Structure Activity Relationship (QSAR) study predicts small molecule binding to RNA structure

Chemexpress November 19, 2024 0 Comments

The diversity of RNA structural elements and their documented role in human diseases make RNA an attractive therapeutic target. However, progress in drug discovery and development has been hindered by…

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Bayesian active learning of interatomic force field for molecular dynamics simulation of Pt/Ag(111)

Chemexpress November 19, 2024 0 Comments

Force field is a central requirement in molecular dynamics (MD) simulation for accurate description of the potential energy landscape and the time evolution of individual atomic motions. Most energy models…

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Discovery of Innovative Polymers for Next-Generation Gas-Separation Membranes using Interpretable Machine Learning

Chemexpress November 19, 2024 0 Comments

Polymer membranes perform innumerable separations with far-reaching environmentalimplications. Despite decades of research on membrane technologies, design of new membranematerials remains a largely Edisonian process. To address this shortcoming, we demonstrate…

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Out with Acetonitrile: Water-assisted Accelerated-Aging Synthesis of CuI-Pyrazine Hybrid Materials

Chemexpress November 19, 2024 0 Comments

CuI and pyrazine form three hybrid materials, (Yellow), (Orange), and (Red). In this work, Red was prepared using a green synthetic method, water-assisted accelerated-aging synthesis, for the first time. The…

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Light-driven charge accumulation of a molecular Cu(I) {complex|complicated} for storage of photoredox equivalents

Chemexpress November 18, 2024 0 Comments

The diurnal day/night cycle is presently of {great|fantastic|excellent|wonderful|good|terrific} interest for harvesting solar {energy|power} aimed at rendering {suitable|appropriate} {energy|power} storage schemes. To this {end|finish} we present a noble-metal {free|totally free|free of…

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Uncategorized

3-(2,5-Dimethyl-1-phenethyl-1H-pyrrol-3-yl)-3-oxo-propionitrile

Uncategorized

3-(2,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

Uncategorized

3-(2-[(4-bromophenyl)amino]-2-oxoethylthio)propanoic acid

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3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid

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