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Publications by Dieter Krachtus

Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase

Organic Chemistry

Molecular Medicine

Analytical Chemistry

Theoretical Chemistry

Pharmaceutical Science

English

Related publications

Catalytic Mechanism of Glycosyltransferases: Hybrid Quantum Mechanical/Molecular Mechanical Study of the Inverting N-Acetylglucosaminyltransferase I

English

Catalytic Mechanism of Human DNA Polymerase Λ With Mg2+ and Mn2+ From Ab Initio Quantum Mechanical/Molecular Mechanical Studies

Molecular Biology

English

Role of the Active Site Guanine in theglmSRibozyme Self-Cleavage Mechanism: Quantum Mechanical/Molecular Mechanical Free Energy Simulations

Journal of the American Chemical Society

Surface Chemistry

English

A Combined Quantum Mechanical/Molecular Mechanical Study of the Reaction Mechanism and A-Amino Acidity in Alanine Racemase

English

Multiconfiguration Molecular Mechanics Based on Combined Quantum Mechanical and Molecular Mechanical Calculations

English

The Catalytic Mechanism of Cdc25A Phosphatase

Journal of Biological Chemistry

Molecular Biology

English

Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms

Organic Chemistry

Molecular Medicine

Analytical Chemistry

Theoretical Chemistry

Pharmaceutical Science

English

Quantum Mechanical DFT Elucidation of CO2 Catalytic Conversion Mechanisms: Three Examples

International Journal of Quantum Chemistry

Condensed Matter Physics

Molecular Physics,

Theoretical Chemistry

English

Applications of Quantum Mechanical/Molecular Mechanical Methods to the Chemical Insertion Step of DNA and RNA Polymerization

Advances in Protein Chemistry and Structural Biology

Structural Biology

English