- Comprehensive Protein Modeling
- • Complete set of homology modeling tools, including both rapid and advanced methods
- • Chimeric and multimeric models
- • Advanced sequence tools for multiple alignment, with extensive annotation options
- • Protein structure quality analysis
- • Identification of consensus elements in structural families/homologs
- Advanced features for protein engineering
- • Protein aggregation prediction
- • Identification of hot spots for proteolysis, glycosylation, deamidation, and oxidation
- • Residue-based analysis of energies, solvent-accessible surface areas, and hydropathy
- • Cysteine scanning to identify residue mutations for potential cysteine-cysteine disulfide bonds
- • Automated residue scanning to predict relative stabilities as well as changes in
- solvent‑accessible surface area, pKa, and hydropathy
- Antibody modeling
- • Automated intuitive workflow
- • Prediction of CDR from sequence
- • Rapid prediction using curated antibody database
- • Advanced ab initio loop prediction using Prime
- • Database management tools for simple incorporation of new/proprietary structures, and
- allows use of multiple databases in modeling
- State-of-the-art protein-protein docking
- • Well-validated docking code, PIPER; for more information please visit the PIPER website.
- • Special antibody and multimer modes
- Advanced simulations
- • Access to Schrödinger simulation tools
- Advanced molecular dynamics (MD)
- • Extensive Free Energy Perturbation (FEP) tools
- • Large-scale, low mode (normal) search for domain movement
- • Quantum mechanics/molecular mechanics (QM/MM) predictions of binding site reactivity
An introduction to Biologics Suite
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