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- 2009
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Mark
Reaction Mechanism of Manganese Superoxide Dismutase Studied by Combined Quantum and Molecular Mechanical Calculations and Multiconfigurational Methods.
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- Contribution to journal › Article
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Mark
Do quantum mechanical energies calculated for small models of protein-active sites converge?
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- Contribution to journal › Article
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Mark
Calculation of Protein-Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects
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- Contribution to journal › Article
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Mark
Cobalamins uncovered by modern electronic structure calculations
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- Contribution to journal › Scientific review
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Mark
How accurate are continuum solvation models for drug-like molecules?
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- Contribution to journal › Article
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Mark
QM/MM study of the insertion of metal ion into protoporphyrin IX by ferrochelatase
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- Contribution to journal › Article
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Mark
How Accurate Can a Force Field Become? A Polarizable Multipole Model Combined with Fragment-wise Quantum-Mechanical Calculations
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- Contribution to journal › Article
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Mark
Protein Influence on Electronic Spectra Modeled by Multipoles and Polarizabilities
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- Contribution to journal › Article
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Mark
Conformational entropy changes upon lactose binding to the carbohydrate recognition domain of galectin-3.
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- Contribution to journal › Article
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Mark
Conformational dependence of charges in protein simulations
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- Contribution to journal › Article