1: Hopmann KH, Himo F.
 Cyanolysis and azidolysis of epoxides by haloalcohol dehalogenase: theoretical
study of the reaction mechanism and origins of regioselectivity.
Biochemistry. 2008 Apr 29;47(17):4973-82. Epub 2008 Apr 5.
PMID: 18393443 [PubMed - in process]

2: Liao RZ, Yu JG, Raushel FM, Himo F.
 Theoretical Investigation of the Reaction Mechanism of the Dinuclear Zinc Enzyme 
Dihydroorotase.
Chemistry. 2008 May 9;14(14):4287-4292.
PMID: 18366031 [PubMed - as supplied by publisher]

3: Chen SL, Marino T, Fang WH, Russo N, Himo F.
 Peptide hydrolysis by the binuclear zinc enzyme aminopeptidase from Aeromonas
proteolytica: a density functional theory study.
J Phys Chem B. 2008 Feb 28;112(8):2494-500. Epub 2008 Feb 5.
PMID: 18247603 [PubMed - indexed for MEDLINE]

4: Sevastik R, Himo F.
 Quantum chemical modeling of enzymatic reactions: the case of 4-oxalocrotonate
tautomerase.
Bioorg Chem. 2007 Dec;35(6):444-57. Epub 2007 Sep 27.
PMID: 17904194 [PubMed - indexed for MEDLINE]

5: Hopmann KH, Guo JD, Himo F.
 Theoretical investigation of the first-shell mechanism of nitrile hydratase.
Inorg Chem. 2007 Jun 11;46(12):4850-6. Epub 2007 May 12.
PMID: 17497847 [PubMed - indexed for MEDLINE]

6: Ibrahem I, Rios R, Vesely J, Hammar P, Eriksson L, Himo F, Córdova A.
 Enantioselective organocatalytic hydrophosphination of alpha,beta-unsaturated
aldehydes.
Angew Chem Int Ed Engl. 2007;46(24):4507-10. No abstract available.
PMID: 17492816 [PubMed]

7: Chen SL, Fang WH, Himo F.
 Theoretical study of the phosphotriesterase reaction mechanism.
J Phys Chem B. 2007 Feb 15;111(6):1253-5. Epub 2007 Jan 25.
PMID: 17253743 [PubMed - indexed for MEDLINE]

8: Hopmann KH, Himo F.
 Insights into the reaction mechanism of soluble epoxide hydrolase from
theoretical active site mutants.
J Phys Chem B. 2006 Oct 26;110(42):21299-310.
PMID: 17048959 [PubMed - indexed for MEDLINE]

9: Hopmann KH, Himo F.
 Theoretical study of the full reaction mechanism of human soluble epoxide
hydrolase.
Chemistry. 2006 Sep 6;12(26):6898-909.
PMID: 16856182 [PubMed - indexed for MEDLINE]

10: Himo F, Guo JD, Rinaldo-Matthis A, Nordlund P.
 Reaction mechanism of deoxyribonucleotidase: a theoretical study.
J Phys Chem B. 2005 Oct 27;109(42):20004-8.
PMID: 16853585 [PubMed - indexed for MEDLINE]

11: Velichkova P, Himo F.
 Theoretical study of the methyl transfer in guanidinoacetate methyltransferase.
J Phys Chem B. 2006 Jan 12;110(1):16-9.
PMID: 16471489 [PubMed - indexed for MEDLINE]

12: Bassan A, Zou W, Reyes E, Himo F, Córdova A.
 The origin of stereoselectivity in primary amino acid catalyzed intermolecular
aldol reactions.
Angew Chem Int Ed Engl. 2005 Nov 4;44(43):7028-32. No abstract available.
PMID: 16259017 [PubMed - indexed for MEDLINE]

13: Hopmann KH, Hallberg BM, Himo F.
 Catalytic mechanism of limonene epoxide hydrolase, a theoretical study.
J Am Chem Soc. 2005 Oct 19;127(41):14339-47.
PMID: 16218628 [PubMed - indexed for MEDLINE]