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    • Small Molecules
      • Discovery
    • Biologics
    • Other Drug Modalities
    • SynVent Integrated Drug Discovery
      • SynVent Integrated Drug Discovery

        SynVent is Syngene’s platform for fully integrated therapeutic discovery and development across large and small molecules. 

    • Industries
    • Emerging Biopharma
      • Emerging Biopharma

        Emerging biopharma work at the forefront of science, often venturing into disease areas where little or no real-world data exists to work with or regulatory frameworks to work within.

    • Dedicated Centers
      • Dedicated Centers

        Our Dedicated Centers offer dedicated multi-disciplinary scientific teams, support personnel, and a tailormade ring-fenced and fire-walled infrastructure as per client specifications to support their  R&D  goals

    • Center for Advanced Protein Studies (CAPS)
      • Center for Advanced Protein Studies (CAPS)

        Centre for Advanced Protein Studies [CAPS] is a state-of-the-art advanced national facility located in the Syngene campus, Bangalore.

  • Careers
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Molecular Modeling and CADD

Molecular Modeling and CADD

Enabling hypothesis driven-design

Syngene’s Molecular modeling and computer-aided drug design (CADD) services help design novel molecules for applications in diverse domains and solve problems encountered in achieving the project objective. Syngene provides modeling services either as part of integrated services or on a standalone basis.

Computational Chemistry

  • Virtual screening
  • Structure-based design
  • Ligand-based design
  • Scaffold hopping and de novo design
  • Water analysis & FEP
  • Library design


  • HTS triage and expansion
  • Predictive chemical absorption distribution metabolism excretion toxicity (ADMET)
  • Diversity and chemical space exploration

Structural Informatics

  • Protein sequence analysis, multiple sequences alignments and selectivity analysis
  • Binding site identification and druggability assessment
  • Protein homology modeling

Biologics Design

  • Protein and antibody engineering
  • Humanization
  • Optimization of physiochemical properties
  • Liabilities assessment and mitigation

Generative Artificial Intelligence

  • Predictive ADMET modeling
  • Multiparameter optimization

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