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Peptide Drug Discovery Services
AIDD/CADD Empowered Peptides Optimization
Target to Hit
AI-driven DEL peptide screening
- AI-assisted construction of focused peptide DEL libraries
- DEL hit extraction and refinement through FEP calculation
Peptide virtual screening
- Protein-peptide docking
- Pharmacophore modeling
- Molecular dynamics simulation
- Similarity search
- Binding affinity calculation
- 2D/3D-QSAR modeling
De novo peptide design
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Pocket-based de novo generation
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Anchor-based cyclic peptide generation
Hit to Lead
Peptide rational design
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Peptide structure prediction
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Dynamic behaviors of protein-peptide complexes
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Amino acids modification
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Diverse cyclization strategies
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Binding affinity and stability evaluation
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Polymer conjugation
AI-based peptide pharmacokinetics prediction
Permeability
prediction
prediction
Caco2 regression model
RRCK regression model
PAMPA regression model
Stability
prediction
prediction
t1/2 in simulated gastric fluid classification model
t1/2 in simulated intestinal fluid classification model
For more information about
“AIDD/CADD Empowered
Peptides Optimization”, please contact our team.
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