Chemistry
Potential Energy Surface
70%
Quantum Dynamics
62%
Gibbs Free Energy
58%
Reactive Scattering
47%
Wave Packet
45%
Molecular Dynamics
42%
Rate Constant
42%
Fractionation
32%
Angular Momentum
24%
Ground State
22%
S Matrix
22%
Kd
22%
Solvation
21%
Rotational State
20%
Hydrogen Bonding
19%
Predissociation
19%
Molecular Mechanic
17%
Alanine
15%
Methane
14%
Photodissociation
14%
Vibrational State
13%
Quantum Number
12%
Variational Method
12%
Vibrational Excitation
12%
Wave Function
11%
Density Functional Theory
11%
Ab Initio Calculation
11%
Structure
10%
Diatomic Molecule
10%
Electrostatic Interaction
10%
Quantum Mechanical Method
10%
Quantum Mechanics
10%
Møller-Plesset Perturbation Theory
10%
Translational Energy
10%
Chemical Shift
9%
Biotin
9%
Dielectric Constant
9%
Reaction Dynamics
8%
Binding Energy
8%
Transition State Theory
8%
NMR Spectroscopy
8%
Dissociative Adsorption
8%
DFT-B3LYP Calculation
8%
RNA
7%
Bound State
7%
Kinetic Energy
7%
Gaussian Distribution
7%
Rotational Excitation
6%
Diazo Compound
6%
Stereodynamics
6%
Biochemistry, Genetics and Molecular Biology
Dynamics
100%
Static Electricity
33%
Hydrogen Bond
31%
Conformation
28%
Binding Affinity
21%
Protein Ligand
19%
Alanine
16%
Ligand Binding
16%
Small Molecule
15%
Solvation
14%
Molecular Mechanic
14%
Protease
12%
Binding Protein
12%
Fractionation
11%
Solution and Solubility
11%
Biotin
11%
Human Immunodeficiency Virus 1
11%
Protein Secondary Structure
10%
Protein Dynamics
9%
Enzyme
9%
Dielectric Constant
9%
Streptavidin
8%
Amino Acids
8%
Protein Folding
8%
Docking (Molecular)
8%
Binding Energy
7%
Human Immunodeficiency Virus
7%
SARS Coronavirus
7%
Quantum Mechanics
6%
Protein Structure
6%
Thrombin
6%
Protonation
6%
Protein Complexes
6%
Angiotensin-Converting Enzyme 2
6%
Amyloid
6%
Cooperation
6%
Surface Area
6%
Motion
6%
Room Temperature
6%
HIV-1 Protease
6%
Melting Temperature
5%
Gp41
5%
PD-L1
5%
Protease Inhibitor
5%
Solvent Effect
5%
Wild Type
5%
Keyphrases
Reaction Probability
25%
Quantum Dynamics
21%
Potential Energy Surface
15%
Rotor Target
14%
Dynamic Study
12%
Quantum Reactive Scattering
12%
Integral Cross Section
11%
Vibrational Predissociation
11%
Semi-rigid
11%
Energy Dependence
11%
Wave Packet Calculation
11%
State-to-state
10%
Interaction Entropy
9%
Reactive Scattering
9%
Dynamic Calculation
9%
Total Angular Momentum
9%
Quantum Mechanical Calculations
9%
O(1D)
8%
Wave Packet
8%
Time-dependent Quantum Wave Packet
8%
Decay Width
8%
Molecular Dynamics Simulation
7%
Vibrational Excitation
7%
Scattering Matrix
7%
Scattering Calculation
7%
Binding Energy
6%
Stereodynamics
6%
Decoupled Approach
6%
Three-dimensional (3D)
6%
Molecular Fractionation
6%
Quantum Wave Packet
5%
Photodissociation
5%
Polarizable
5%
Force Field
5%
Quantum Scattering Calculations
5%
Collision Energy
5%
Rotational States
5%
