Keyphrases
Conformational Ensemble
100%
Ligand-based Drug Design
100%
Bioactive
100%
Drug-like
66%
Virtual Screening
33%
Computational Methods
16%
Computational Tools
16%
Remaining Challenges
16%
Biological Activity
16%
Focusing Characteristics
16%
Structural Criteria
16%
Drug Development
16%
Drug Discovery
16%
Potential Energy Surface
16%
Current Contribution
16%
Energy Function
16%
Computer-aided Drug Discovery
16%
In Silico Screening
16%
Energy Criterion
16%
Ligand-based Methods
16%
Ligand-based Approaches
16%
Area Cover
16%
Take-home
16%
Pharmacology, Toxicology and Pharmaceutical Science
Drug Development
100%
Drug Discovery
100%
Virtual Screening
100%
Biological Activity
50%
Chemistry
Statistical Ensemble
100%
Conformational Isomer
100%
Drug Discovery
25%
Virtual Screening
25%
Bioactivity
12%
Potential Energy Surface
12%
Structure
12%
Medicine and Dentistry
Virtual Screening
100%
Biological Activity
50%
In Silico
50%
Flexibility
50%
Engineering
Conformers
100%
Limitations
12%
Energy Engineering
12%
Tasks
12%
Common Practice
12%
Surface Potential
12%
Potential Energy
12%
Energy Function
12%