Keyphrases
QM-MM
95%
Organic Compounds
50%
Catalytic Cycle
49%
Acetohydroxyacid Synthase
47%
ThDP
46%
Thiamine Diphosphate
43%
Ylides
43%
Molecular Dynamics Simulation
42%
Reaction Mechanism
42%
Microtubules
42%
Peloruside
40%
Streptococcus mutans (S. mutans)
40%
Computational Study
40%
Active Sites
40%
Carboligation
38%
M-estimate
36%
Water Molecule
33%
Glycosylation
31%
Reaction Pathway
31%
GH70
29%
Laulimalide
28%
Microtubule-stabilizing Agents
28%
Glycosyltransferase
26%
Resveratrol
26%
Glucosylation
26%
Density Functional Theory
26%
Structural Features
26%
Catalytic Mechanism
26%
Taxol
25%
Glucosyltransferase
24%
QSPR Model
24%
Solvation Free Energy
24%
Nucleophilic Attack
24%
Herbicide
22%
Tubulin
21%
Microtubule Stabilizer
21%
Arginine
20%
Protonation State
20%
Quantum Chemistry
20%
Quantum Mechanics-molecular Mechanics
20%
Tautomeric Forms
20%
Hydrolysis
19%
Quantitative Structure-property Relationship
18%
Bond Breakage
17%
Catalytic Role
17%
Glycosidic Bond
17%
Density Functional Calculations
17%
Sulfonylurea
17%
Hydroxyethyl
16%
Acceptor Substrate
16%
Biochemistry, Genetics and Molecular Biology
Enzyme
100%
Dynamics
80%
Glycosylation
67%
Tubulin
53%
Acetolactate Synthase
53%
Active Site
45%
Sucrose
40%
Streptococcus mutans
40%
Molecular Modeling
35%
Molecular Model
35%
Thiamine Pyrophosphate
35%
Resveratrol
26%
Glycosyltransferase
26%
Glucosyltransferase
24%
Proton Transport
24%
Synthase
22%
Glycosidic Bond
22%
Surface Property
21%
Catalytic Mechanism
21%
Amino Acids
20%
Microtubule Assembly
20%
Arginine
20%
Enzymatic Hydrolysis
19%
Nucleophilicity
17%
Conformation
15%
Bifidobacterium Adolescentis
13%
Phosphorylase
13%
Sulfonylurea
13%
Precursor
13%
Equilibrium Constant
13%
Dipeptidyl Peptidase-4
13%
Protonation
13%
Agmatine
13%
Cavia porcellus
13%
Asparaginase
13%
Tautomer
13%
Glucan
13%
Arginase
13%
Mutagenesis
12%
Enzyme Models
11%
Wild Type
11%
Drug Mechanism
11%
Motion
11%
Molecular Mechanic
10%
Solution and Solubility
10%
Pyrophosphate
9%
Energy Transfer
9%
Alanine
8%
Principal Component Analysis
8%
Anabolism
8%
Chemistry
Organic Compound
57%
Gibbs Free Energy
54%
Thiamine
53%
Structure
48%
Ylide
47%
Molecular Modeling
40%
Density Functional Theory
40%
% Inhibition
40%
Energy Barrier
37%
Molecular Dynamics
31%
QSPR Study
30%
Potential Energy Surface
29%
Glucosylation
26%
Resveratrol
26%
Solvation
26%
Glycosylation
26%
Peloruside A
26%
Microtubule-Stabilising Agent
26%
Transition State
26%
Pyruvate
26%
Proton Transfer
25%
Quantum Mechanics
21%
Herbicide
20%
Molecular Mechanic
20%
Alkane
17%
Amino-Acid Residue
15%
Vildagliptin
13%
Catalytic Reaction Mechanism
13%
Meropenem
13%
Density Functional Theory Study
13%
Chlorimuron
13%
Tetrangulol
13%
Paclitaxel
13%
Polymerization
13%
Octanol
13%
Drop
13%
Electron Density
13%
Asparagine
13%
Aspartic Acid
13%
Base
13%
Methanol
13%
2-Hydroxybutyrate
13%
DFT-B3LYP Calculation
13%
Ethyl
13%
Hydrogen Bonding
13%
Molecular Mechanics Calculation
12%
Polyphenol
11%
Kcat
11%
Quantum Chemistry
10%
Carbapenem
8%