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- 2005
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Enhanced protein adsorption due to charge regulation
(2005)
In Langmuir
21(18).
p.8385-8388
- Contribution to journal › Article
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Comparison of chemical properties of iron, cobalt, and nickel porphyrins, corrins, and hydrocorphins
(2005)
In Journal of Porphyrins and Phthalocyanines
9(8).
p.581-606
- Contribution to journal › Article
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On the charge regulation of proteins
(2005)
In Biochemistry
44(15).
p.5722-5727
- Contribution to journal › Article
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Accurate QM/MM free energy calculations of enzyme reactions: Methylation by catechol O-methyltransferase
(2005)
In Journal of Chemical Theory and Computation
1(6).
p.1240-1251
- Contribution to journal › Article
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A combined quantum and molecular mechanical study of the O-2 reductive cleavage in the catalytic cycle of multicopper oxidases
(2005)
In Inorganic Chemistry
44(16).
p.5612-5628
- Contribution to journal › Article
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NMR structure determination of proteins supplemented by quantum chemical calculations: Detailed structure of the Ca2+ sites in the EGF34 fragment of protein S
(2005)
In Journal of Biomolecular NMR
31(2).
p.97-114
- Contribution to journal › Article
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Theoretical study of structure of catalytic copper site in nitrite reductase
(2005)
In International Journal of Quantum Chemistry
102(5).
p.520-541
- Contribution to journal › Article
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Controlling the cohesion of cement paste
(2005)
In Langmuir
21(20).
p.9211-9221
- Contribution to journal › Article
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A molecule wired: Electrostatic investigation
(2005)
In Chemical Physics Letters
405(1-3).
p.118-122
- Contribution to journal › Article
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A comparative reactivity study of microperoxidases based on hemin, mesohemin and deuterohemin
(2005)
In Journal of Inorganic Biochemistry
99(3).
p.852-863
- Contribution to journal › Article