FMO Interfaced with Molecular Dynamics Simulation

Author:

Komeiji Yuto,Ishikawa Takeshi

Publisher

Springer Singapore

Reference76 articles.

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3. Brorsen KR, Minezawa N, Xu F et al (2012) Fragment molecular orbital molecular dynamics with the fully analytic energy gradient. J Chem Theor Comput 8:5008–5012

4. Bulo RE, Ensing B, Sikkema J et al (2009) Toward a practical method for adaptive QM/MM simulations. J Chem Theory Comput 5:2212–2221

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Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Interaction Analysis by Fragment Molecular Orbital Method for Drug Discovery Research;Chemical and Pharmaceutical Bulletin;2024-09-01

2. Divide-and-Conquer Linear-Scaling Quantum Chemical Computations;The Journal of Physical Chemistry A;2023-01-11

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