Fragment molecular orbital method: an approximate computational method for large molecules

By K. Kitaura, Eiji Ikeo, T. Asada, T. Nakano, M. Uebayasi. 1999

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

1. Nigel W. Moriarty
2. Pavel V. Afonine
3. Min Zheng
4. Jeffrey R. Reimers
5. Mark P. Waller
6. Yanting Xu
7. Yuri Alexeev
8. Michael P. Mazanetz

Citations in the corpus

• GAMESS as a free quantum-mechanical platform for drug research. (2012, methodology): “The following low-scaling ab initio based methods are available in GAMESS-US: effective fragment potential (EFP) [8], elongation method (ELG) [58], divide-andconquer (DC) approach [59] and FMO [26].”
• Solving the scalability issue in quantum-based refinement: Q|R#1. (2017, methodology): “Fragmentation methods can provide an efficient route to effectively model large and complex molecular systems (Kitaura et al., 1999; He et al., 2014; Gordon et al., 2012; Fedorov & Kitaura, 2007).”