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ArticleThe journal of physical chemistry. B2026

Accelerating Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations with Stochastic Iso-Kinetic Nosé-Hoover Multiple Time Step Integrator in CHARMM.

Kwangho Nam et al.PubMed ↗Full text ↗Publisher ↗

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1 paper cites it

2026

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Accelerating Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations with Stochastic Iso-Kinetic Nosé-Hoover Multiple Time Step Integrator in CHARMM. | OpenQuestion