Reaction Mechanism of Isopentenyl Phosphate Kinase: A QM/MM Study

Keyphrases

• Reaction Mechanism 100%
• QM-MM 100%
• Phosphorylation Reaction 100%
• Isopentenyl Phosphate Kinase 100%
• Conformational Change 66%
• Mg2+ 66%
• Helix 66%
• Metal Ions 33%
• Transition State 33%
• Molecular Dynamics Simulation 33%
• Density Functional Theory 33%
• WB97XD 33%
• Kinetic Data 33%
• Catalytic Mechanism 33%
• H-bonding Interaction 33%
• Biofuel 33%
• Drug Design 33%
• Quantum Mechanics-molecular Mechanics 33%
• Reaction Barrier 33%
• Entrance Channel 33%
• Substrate-free 33%
• Experimental Kinetics 33%
• Glycine-rich Loop 33%
• Dynamic Density 33%
• Molecular Mechanics Calculations 33%
• Salt Bridge 33%
• Divalent Metal Ions 33%
• Isopentenol 33%
• Substrate Binding 33%
• Isopentenyl Diphosphate 33%

Biochemistry, Genetics and Molecular Biology

• Conformational Change 100%
• Kinase A 100%
• Adenosine Triphosphate 50%
• Precursor 50%
• Catalytic Mechanism 50%
• Pyrophosphate 50%
• Molecular Mechanic 50%
• Crystal Structure 50%
• Quantum Mechanics 50%
• Computer Simulation 50%

Chemistry

• phosphorylation 100%