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A combined QM/MM study of the nucleophilic addition reaction of methanethiolate and N-methylacetamide
Kyoungrim Byun,
Jiali Gao
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
16
Scopus citations
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Dive into the research topics of 'A combined QM/MM study of the nucleophilic addition reaction of methanethiolate and N-methylacetamide'. Together they form a unique fingerprint.
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Engineering & Materials Science
Addition reactions
100%
Potential energy surfaces
47%
Binding energy
45%
Peptide Hydrolases
43%
Hydrolysis
34%
Enzymes
32%
Gases
32%
Water
31%
Ions
26%
Chemical Compounds
N-Methylacetamide
81%
Nucleophilic Addition
62%
Gas
30%
Solvent Effect
27%
Potential Energy Surface
27%
Binding Energy
25%
Cysteine
24%
Adduct
20%
Force
19%
Hydrolysis
17%
Aqueous Solution
14%
Physics & Astronomy
vapor phases
30%
protease
28%
cysteine
27%
adducts
25%
hydrolysis
21%
water
21%
enzymes
20%
aqueous solutions
17%
binding energy
16%
potential energy
16%
dipoles
13%
ions
8%