Insights into RNA recognition of small molecules using the Fragment Molecular Orbital (FMO) method

Keyphrases

• Small Molecules 100%
• RNA Recognition 100%
• Fragment Molecular Orbital Method 100%
• RNA Ligands 50%
• Binding Energy 33%
• Binding Affinity 33%
• Ligand Complexes 33%
• Interaction Strength 16%
• Bioactive 16%
• Weak Correlation 16%
• Molecular Recognition 16%
• Drug-like 16%
• Structure-based Design 16%
• Ligand Interaction 16%
• Human Disease 16%
• Reliable Estimate 16%
• Specific Components 16%
• Targeting Ligands 16%
• Chemical Probes 16%
• Small Molecule Ligands 16%
• Divide-and-conquer 16%
• Quantum Mechanical 16%
• Ligand Binding Energies 16%

Chemistry

• Molecular Orbital Method 100%
• RNA 100%
• Molecular Orbital 71%
• Binding Energy 42%
• Kd 28%
• Molecular Recognition 14%