Molecular Simulations of Solved Co-crystallized X-Ray Structures Identify Action Mechanisms of PDEδ Inhibitors

Keyphrases

• Molecular Simulation 100%
• Mechanism of Action 100%
• X-ray Structure 100%
• PDE Inhibitors 100%
• PDE 75%
• Solvent Accessible Surface Area 50%
• All-atom Molecular Dynamics Simulation 25%
• Area Calculation 25%
• Molecular Mechanism 25%
• Atomic Scale 25%
• Molecular Mechanics 25%
• Atomic Simulation 25%
• In Silico 25%
• Common Target 25%
• Drug Development 25%
• Central Cavity 25%
• PDE Inhibition 25%
• Small Molecule Kinase Inhibitors 25%
• Ras Signaling 25%
• Cardiac Sodium Channel 25%
• Poisson-Boltzmann 25%
• Oncology Drugs 25%
• Ether-à-go-go 25%
• In Silico Investigation 25%
• Small Protein 25%
• HERG Potassium Channel 25%
• Generalized Born 25%
• Off-target Interaction 25%

Biochemistry, Genetics and Molecular Biology

• X Ray 100%
• Accessible Surface Area 100%
• Small Molecule 50%
• Protein Subfamily 50%
• Potassium Channel 50%
• Kinase 50%
• Phosphotransferase 50%
• Ion Channel 50%