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Catalytic mechanism of mevalonate kinase revisited, a QM/MM study
James McClory
, Jun Tang Lin
, David Timson
, Jian Zhang
, Meilan Huang
Research output
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peer-review
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Keyphrases
Base Mechanism
14%
Biofuel
28%
Biofuel Production
14%
Bond Cleavage
14%
Bridging Oxygen
14%
Catalytic Base
14%
Catalytic Mechanism
100%
Complex Structure
14%
Conformational Change
14%
Docking Molecular Dynamics Simulations
14%
Flexible Loop
14%
Helix
14%
Isopentenyl Diphosphate
14%
Isoprenoids
28%
Kinase Structure
14%
Mevalonate
71%
Mevalonate Kinase
100%
Mevalonate Pathway
14%
Mg2+
57%
Molecular Docking
14%
Negative Charge
14%
Phosphate
14%
Phosphate Transfer
28%
Phosphorylation
14%
Phosphorylation Reaction
14%
QM-MM
100%
Rational Engineering
14%
Reaction Mechanism
28%
Substrate Binding
14%
Biochemistry, Genetics and Molecular Biology
Adenosine Triphosphate
71%
Anabolism
14%
Catalytic Mechanism
100%
Conformational Change
14%
Crystal Structure
28%
Docking (Molecular)
28%
Flexible Loop
14%
Kinase
14%
Mevalonate Kinase
100%
Mevalonate Pathway
14%
Phosphotransferase
14%
Precursor
14%
Pyrophosphate
14%