Molecular dynamics guided insight, binding free energy calculations and pharmacophore-based virtual screening for the identification of potential VEGFR2 inhibitors

INIS

• screening 100%
• growth factors 100%
• free energy 100%
• molecular dynamics method 100%
• simulation 66%
• proteins 33%
• tumors 33%
• tumor cells 33%
• libraries 33%
• urea 33%
• stability 33%
• metastases 33%
• angiogenesis 33%
• precision 33%
• binding energy 33%
• zinc 33%
• switches 33%
• space 33%
• thermodynamics 33%
• datasets 33%

Biochemistry, Genetics and Molecular Biology

• Electric Potential 100%
• Energy 100%
• Screening 100%
• Introspection 100%
• Pharmacophore 100%
• Molecular Dynamics 100%
• Vascular Endothelial Growth Factor A 40%
• Data Base 20%
• Signal Transduction 20%
• Strength 20%
• Accuracy 20%
• Binding Energy 20%
• Urea 20%
• Angiogenesis 20%
• Vascular Endothelial Growth Factor 20%
• Fitness 20%
• Thermodynamics 20%
• Protein Complexes 20%
• Molecular Dynamics Study 20%

Pharmacology, Toxicology and Pharmaceutical Science

• Neoplasm 40%
• Vasculotropin A 40%
• Protein 20%
• Urea 20%
• Metastasis 20%
• Vasculotropin 20%
• Lead 20%
• Fitness 20%
• ADME 20%
• Sorafenib 20%