Keyphrases
Stochastic Approach
100%
Force Field
100%
Piperazine
100%
Piperidine
100%
GBR 12909
100%
Conformational Analysis
100%
Internal Rotation
66%
Tripos
50%
MMFF94
50%
Low Energy
16%
Oxygen Atom
16%
Dopamine Transporter
16%
Dopamine Reuptake Inhibitor
16%
B3LYP/6-31G
16%
Random Search
16%
Local Minima
16%
Potential Energy Surface
16%
Atom Types
16%
QSAR Model
16%
Serotonin Transporter
16%
3D-QSAR
16%
Molecular Orbital Calculations
16%
Tertiary Amine
16%
Rotational Barrier
16%
Cocaine Abuse
16%
Molecular Mechanics Calculations
16%
Implicit Solvent
16%
Conformational Population
16%
Ether Oxygen
16%
Pharmacology, Toxicology and Pharmaceutical Science
Piperidine
100%
Piperazine
100%
Pregnancy Associated Alpha2 Glycoprotein
100%
Dopamine Reuptake Inhibitor
50%
Dopamine Transporter
50%
Molecular Mechanic
50%
Quantitative Structure-Activity Relationship
50%
Serotonin Transporter
50%
Molecular Orbital
50%
Tertiary Amine
50%
Chemistry
Piperidine
100%
Internal Rotation
100%
Piperazine
100%
Conformational Isomer
50%
Dopamine
50%
Statistical Ensemble
25%
DFT-B3LYP Calculation
25%
Potential Energy Surface
25%
Oxygen Atom
25%
Molecular Orbital
25%
Molecular Mechanics Calculation
25%
Rotational Barrier
25%
Serotonin
25%
Tertiary Amine
25%
Biochemistry, Genetics and Molecular Biology
Joint Mobility
100%
Surface Property
25%
Molecular Mechanic
25%
Three Dimensional Quantitative Structure Activity Relationship
25%
Reuptake
25%
Dopamine Transporter
25%
Serotonin Transporter
25%