Structure-based small inhibitors search combined with molecular dynamics driven energies for human programmed cell death-1 (PD-1) protein

Biochemistry, Genetics and Molecular Biology

• Dynamics 100%
• Protein 100%
• Energy 100%
• Programmed Cell Death 1 100%
• T Cell 20%
• Immune Checkpoints 20%
• Cancer Cell 20%
• PD-L1 20%
• Immune Response 20%
• Metabolic Pathway 10%
• Absorption 10%
• Small Molecule 10%
• Molecular Mechanic 10%
• Immunocompetent Cell 10%
• database 10%
• Screening 10%
• Binding Energy 10%
• Strength 10%
• Docking (Molecular) 10%
• Myeloid 10%
• Excretion 10%
• Surface Area 10%
• Computer Model 10%
• Tumor Escape 10%
• Pharmacokinetic Properties 10%

Pharmacology, Toxicology and Pharmaceutical Science

• Programmed Death 1 Receptor 100%
• Programmed Cell Death 100%
• Ligand 20%
• Malignant Neoplasm 20%
• Drug 20%
• Protein 10%
• Toxicity 10%
• Neoplasm 10%
• Pharmacokinetics 10%
• Foreign Body 10%
• Absorption Distribution Metabolism Excretion 10%
• Molecular Mechanic 10%