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Sep 2026

A Coarse-Grained Model for Small Organic Molecules with Optimized Lennard-Jones Parameters

Developing accurate coarse-grained (CG) molecular models is crucial for constructing databases of complex chemical molecules and enabling data-driven research. Here we present the OLJCG model for small organic molecules, with Lennard-Jones (LJ) parameters optimized via the Lennard-Jones Static Potential Matching meth...

Ren-Jie Zhu, Tong Zhu, Rui-Bo Wu et al. · 0 citations
Open access Jul 2026

Functional Characterization and Cyclization Mechanism of a Diterpene Synthase Responsible for the Biosynthesis of Crinipellins

This work identifies the biosynthetic gene cluster responsible for crinipellin production and establishes CriF as the key diterpene synthase mediating the formation of the characteristic skeleton, providing the first comprehensive insights into crinipellin biosynthesis.

Yao Qin, Kang-Wei Xu, Minghui Xie et al. · 0 citations

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