Journal of chemical information and modelingMolecular Dynamics SimulationHigh-Throughput Screening AssaysTensile StrengthCheminformatics
High-Throughput Computational Framework for the Discovery of Structurally Diverse Monomers in High-Strength Aramid Fibers.
Hyeonsuk Yoo, Ruth M Muthoka, Joonhyeok Park, Dongjin Kim, Xiangyu Zhang, Yongjin Lee
Published: 202510.1021/acs.jcim.5c02140
Abstract
High-performance aramid fibers are valued for exceptional strength and thermal stability, yet further improvement requires discovery of new monomer chemistries. We present a high-throughput computational framework that integrates cheminformatics filt…
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