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Items: 4

1.

Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.

Vreven T, Morokuma K, Farkas O, Schlegel HB, Frisch MJ.

J Comput Chem. 2003 Apr 30;24(6):760-9.

PMID:
12666168
2.

QM/MM methods for biomolecular systems.

Senn HM, Thiel W.

Angew Chem Int Ed Engl. 2009;48(7):1198-229. doi: 10.1002/anie.200802019. Review.

PMID:
19173328
3.
4.

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

Hayashi S, Uchida Y, Hasegawa T, Higashi M, Kosugi T, Kamiya M.

Annu Rev Phys Chem. 2017 May 5;68:135-154. doi: 10.1146/annurev-physchem-052516-050827. Review.

PMID:
28463655

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