Roles & Responsibilities
• Perform Computer-Aided Drug Design (CADD) activities including molecular docking, pharmacophore modeling, and homology modeling
• Study protein–ligand interactions and mechanisms of action
• Design novel molecules and combinatorial libraries
• Conduct virtual screening of large chemical libraries
• Run molecular dynamics (MD) simulations, including enhanced sampling techniques
• Perform QM/MM calculations for structure–activity relationship insights
• Support AI- and big data–driven drug discovery workflows
• Collaborate with biology and chemistry teams on interdisciplinary projects
Qualification
• Master’s degree in Computational Biology / Bioinformatics
• OR PhD in Medicinal Chemistry, Computational/Theoretical Chemistry, Structural Biology, or Bioinformatics
Experience
• Hands-on experience in molecular modeling, MD simulations, and QM/MM methods
• Experience applying AI/ML approaches in drug discovery preferred
Skills
• Strong knowledge of CADD tools and biomolecular simulations
• Understanding of protein dynamics and structure-based drug design
• Experience with virtual screening and molecular design
• Analytical thinking and problem-solving abilities
• Good communication and collaboration skills
About the Organisation
Micro CRISPR Pvt. Ltd. is an innovation-driven life sciences company focused on accelerating next-generation therapeutic discovery using computer-aided drug design, molecular simulations, and AI-based drug discovery approaches.
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