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Items: 6

1.
2.

The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations: Applications to Enzymatic Reactions.

Bushnell EA, Berryman VE, Gauld JW, Boyd RJ.

Adv Protein Chem Struct Biol. 2015;100:153-85. doi: 10.1016/bs.apcsb.2015.06.008. Epub 2015 Jul 17. Review.

PMID:
26415844
3.

Uroporphyrinogen decarboxylase.

Elder GH, Roberts AG.

J Bioenerg Biomembr. 1995 Apr;27(2):207-14. Review.

PMID:
7592567
4.

Computational enzymatic catalysis--clarifying enzymatic mechanisms with the help of computers.

Sousa SF, Fernandes PA, Ramos MJ.

Phys Chem Chem Phys. 2012 Sep 28;14(36):12431-41. doi: 10.1039/c2cp41180f. Epub 2012 Aug 6. Review.

PMID:
22870506
5.

Multi-scale computational enzymology: enhancing our understanding of enzymatic catalysis.

Gherib R, Dokainish HM, Gauld JW.

Int J Mol Sci. 2013 Dec 31;15(1):401-22. doi: 10.3390/ijms15010401. Review.

6.

Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States.

Brunk E, Rothlisberger U.

Chem Rev. 2015 Jun 24;115(12):6217-63. doi: 10.1021/cr500628b. Epub 2015 Apr 16. Review. No abstract available.

PMID:
25880693

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