Keyphrases
Molecular Dynamics Simulation
100%
Bond Model
100%
NDM-1
100%
Binding Mode
50%
Lactams
25%
Metalloproteins
25%
Metal Ions
12%
Molecular Dynamics
12%
Binding Interaction
12%
Covalent Bond
12%
Simulation-based
12%
Protein Targeting
12%
Molecular Dynamics Method
12%
Builders
12%
Force Field
12%
Metal Center
12%
Structure Conformation
12%
Metallo-β-lactamase
12%
Coordination Bond
12%
Substrate Recognition
12%
Computational Power
12%
Python
12%
QM-MM
12%
Molecular Dynamics Approach
12%
Aztreonam
12%
Restrained Electrostatic Potential
12%
Metal-containing Proteins
12%
Classical Force Field
12%
Coordination Interaction
12%
Non-productive Binding
12%
Chemistry
Molecular dynamics simulation
100%
Molecular Dynamics
100%
Crystal Structure
66%
Lactam
66%
Metalloprotein
66%
Electrostatic Potential
33%
Metal Ion
33%
Covalent Bond
33%
Aztreonam
33%
Hybrid QM/MM
33%
Biochemistry, Genetics and Molecular Biology
Dynamics
100%
Computer Simulation
100%
Crystal Structure
66%
Metalloprotein
66%
Conformation
33%
Molecular Model
33%
Static Electricity
33%
Covalent Bond
33%
Pythonidae
33%
Aztreonam
33%
Medicine and Dentistry
Penicillinase
100%
Lactam
33%
Metalloprotein
33%
Molecular Model
16%
Flexibility
16%
Covalent Bond
16%
Metal Ion
16%
Target Protein
16%
Aztreonam
16%
Pharmacology, Toxicology and Pharmaceutical Science
Penicillinase
100%
Lactam
33%
Metalloprotein
33%
Metal Ion
16%
Covalent Bond
16%
Pythonidae
16%
Aztreonam
16%
Material Science
Crystal Structure
100%
Covalent Bond
50%