Author:
Komeiji Yuto,Ishikawa Takeshi
Reference76 articles.
1. Ara A, Kadoya R, Ishimura H et al (2017) Specific interactions between zinc metalloproteinase and its inhibitors: Ab initio fragment molecular orbital calculations. J Mol Graph Model 75:277–286
2. Behler J, Parrinello M (2007) Generalized neural-network representation of high-dimensional potential-energy surfaces. Phys Rev Lett 96:16401
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
5. Endo K, Tomobe K, Yasuoka K (2018) Multi-step time series generator for molecular dynamics. In: The thirty-second AAAI conference on artificial intelligence, pp 2192–2199
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