Keyphrases
Molecular Dynamics Simulation
100%
Dopamine D2 Receptor (DRD2)
65%
Density Functional Theory
62%
Polypyrrole
56%
Simulation Study
56%
D2 Receptor
51%
Pyrrole
46%
DFT Study
46%
Potential Energy Surface
43%
Hydrogen Bonds (H-bonds)
43%
Dissipative Particle Dynamics
41%
Copolymer
40%
Binding Affinity
36%
Ab Initio Calculations
35%
Li +
32%
Helium Clusters
32%
Urethane
32%
Virtual Screening
31%
Hard Segment
29%
Ionic Dopants
28%
Bosonic
28%
In Vitro Study
28%
Binding Interaction
28%
Na +
26%
Single-stranded DNA (ssDNA)
26%
Side Chain
25%
Polycaprolactone
24%
Structural Properties
24%
Antipsychotics
23%
Interaction Force
23%
Small Clusters
23%
Interaction Potential
23%
Microsolvation
23%
Binding Pocket
23%
Thiophene
22%
Phenylene
22%
Binding Site
21%
In Silico
21%
Monte Carlo
21%
Interaction Energy
21%
Parkinson's Disease
20%
Coarse-grained Simulations
20%
Segmented Polyurethane
20%
Diisocyanate
20%
Chain Length
20%
Urea
20%
High-throughput Virtual Screening
20%
Molecular Simulation
19%
Dimerization
19%
Quantum Mechanical
19%
Chemistry
Helium
46%
Potential Energy Surface
36%
Doping Material
35%
dimer
32%
DNA
31%
Møller-Plesset Perturbation Theory
30%
stability
28%
Density Functional Theory Study
28%
Hydrogen Bonding
25%
Energetics
24%
Polymerization
19%
Ab Initio Calculation
18%
Crown Ether
18%
Coumarin
18%
Thiophene
18%
Pyrrole
18%
Diffusion Monte Carlo
17%
CCSD
17%
formation
16%
Oligomer
16%
Binding Energy
15%
Halogen
15%
Kd
14%
Denaturation
14%
Potassium Ion
14%
Intermolecular Force
14%
Post-Hartree-Fock Calculation
14%
Adenine
14%
Metal Ion
14%
Fluorescence Spectroscopy
13%
UV Absorption
12%
DFT-B3LYP Calculation
11%
Melting Point
11%
Radical Cation
11%
Transition State
11%
Potential Energy
11%
Canonical Ensemble
11%
Amino Acid
10%
electrode
10%
Urethane
9%
Binding Site
9%
Oxidation Potential
9%
Pyran
9%
Pemetrexed
9%
Fragmentation Reaction
9%
Oligomerization
9%
Crystal Structure
9%
Graphene
9%
Helium Atom
9%
Alkali Metal Cation
9%
