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A combined quantum mechanical and molecular mechanical study of the reaction mechanism and α-amino acidity in alanine racemase
Dan Thomas Major,
Jiali Gao
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
120
Scopus citations
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Dive into the research topics of 'A combined quantum mechanical and molecular mechanical study of the reaction mechanism and α-amino acidity in alanine racemase'. Together they form a unique fingerprint.
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Medicine & Life Sciences
Alanine Racemase
100%
Pyridoxal Phosphate
73%
Protons
56%
Alanine
55%
Carbon
54%
pyridine
35%
Isotopes
29%
Ions
22%
Electrons
21%
Kinetics
19%
Amino Acids
19%
Water
18%
Chemical Compounds
Pyridoxal
42%
Alanine Zwitterion
37%
Cofactor
33%
Path Integral
29%
Pyridinium Ion
26%
Multi-Step Reaction
24%
Aldimine
22%
Kinetic Isotope Effect
20%
Carbon Atom
17%
Solvation
15%
Transition State
15%
Adduct
13%
Pyridine
12%
Proton
11%
Catalysis
11%
Simulation
11%
Acid
6%
Engineering & Materials Science
Acidity
75%
Protons
43%
Phosphates
41%
Stabilization
30%
Pyridine
29%
Solvation
29%
Carbon
27%
Isotopes
22%
Electrons
18%
Ions
16%
Water
9%