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Chemistry
Alcohol Dehydrogenase
100%
Aldehyde
33%
Benzaldehyde
33%
Benzyl Alcohol
33%
Coenzyme
33%
Counterion
33%
Deprotonation
100%
dimer
33%
Dioxygen
100%
Donor
33%
Double Bond
33%
Electronic State
33%
Electrostatic Interaction
33%
Energy Barrier
66%
formation
33%
Hydrogen Bonding
66%
Molecular Dynamics Simulation
33%
Nicotinamide Adenine Dinucleotide
33%
Reaction Activation Energy
66%
Transition State
33%
Keyphrases
Activation Energy Barrier
22%
Active Sites
22%
Alcohol
66%
Aldehydes
11%
Alkoxide
55%
Atomistic Model
11%
Benzaldehyde
11%
Benzyl Alcohol Oxidation
11%
Classical Molecular Dynamics Simulations
11%
Computational Study
100%
Counterion
11%
Deprotonation
33%
Donor-acceptor Distance
11%
Double Bond
11%
Dynamical Motion
11%
Electronic Structure Calculations
11%
Electrostatic Interaction
11%
Enzyme Reaction
11%
Hydride Transfer
100%
Hydrogen Bond (H-bond)
11%
Liver Alcohol Dehydrogenase
100%
Lone Pair
11%
Low Activation Energy
11%
Nicotinamide Adenine Dinucleotide (NAD+)
11%
Proton Relay
11%
Proton Transfer
100%
Solvate
11%
Strong Hydrogen Bond
11%
Transition State
11%
Zinc
55%