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- 1998
-
Mark
Comparison of methods for deriving atomic charges from the electrostatic potential and moments
(
- Contribution to journal › Scientific review
-
Mark
Theoretical study of the structural and spectroscopic properties of stellacyanin
(
- Contribution to journal › Article
-
Mark
On the relative stability of tetragonal and trigonal Cu(II) complexes with relevance to the blue copper proteins
(
- Contribution to journal › Article
-
Mark
Quantum chemical calculations of the reorganization energy of blue- copper proteins
(
- Contribution to journal › Article
-
Mark
Relation between the structure and spectroscopic properties of blue copper proteins
(
- Contribution to journal › Article
-
Mark
Proteins, Blue Copper: Electronic Spectra
1998) p.2255-2270(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 1997
-
Mark
Theoretical study of the electronic spectrum of plastocyanin
(
- Contribution to journal › Article
-
Mark
On the significance of the trigger reaction in the action of the calicheamicin γI 1 anti-cancer drug
(
- Contribution to journal › Article
-
Mark
The active-site metal coordination geometry of cadmium-substituted alcohol dehydrogenase : A theoretical interpretation of perturbed angular correlation of γ-ray measurements
(
- Contribution to journal › Article
- 1996
-
Mark
The cupric geometry of blue copper proteins is not strained
(
- Contribution to journal › Article
-
Mark
The coordination chemistry of the structural zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations
(
- Contribution to journal › Article
-
Mark
The coordination of the catalytic zinc ion in alcohol dehydrogenase studied by combined quantum-chemical and molecular mechanics calculations
(
- Contribution to journal › Article
-
Mark
Ab initio calculations of electric field gradients in cadmium complexes
(
- Contribution to journal › Article
- 1995
-
Mark
Molecular dynamics simulations of alcohol dehydrogenase with a four‐ or five‐coordinate catalytic zinc ion
(
- Contribution to journal › Article
-
Mark
On the role of Glu‐68 in alcohol dehydrogenase
(
- Contribution to journal › Article
- 1994
-
Mark
The coordination chemistry of the catalytic zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations
(
- Contribution to journal › Article
- 1992
-
Mark
Oscillations in coupled enzymic reactions at high concentration of enzyme
(
- Contribution to journal › Article
- 1991
-
Mark
Identification of possible two‐reactant sources of oscillations in the Calvin photosynthesis cycle and ancillary pathways
(
- Contribution to journal › Article
- 1990
-
Mark
Model studies of the regulation of the Calvin photosynthesis cycle by cytosolic metabolites
(
- Contribution to journal › Article
-
Mark
On the mechanistic origin of damped oscillations in biochemical reaction systems
(
- Contribution to journal › Article