Location: Bengaluru, Karnataka, India
Company: Quantumzyme
About Quantumzyme
Quantumzyme is a leading biocatalysis company leveraging advanced computational chemistry, AI, and
enzyme engineering to deliver sustainable and efficient solutions for chemical and pharmaceutical
manufacturing. Our mission is to revolutionize chemical production through greener, cost-effective,
and precision-driven enzyme design.
Position Overview
We are seeking a highly motivated Scientist (Computational Chemistry / Computational Biology /
Bioinformatics) with 0.6 to 4 years of post-PhD experience to join our Bengaluru team.
This role requires a strong hands-on computational researcher who can independently execute
projects while mentoring junior team members. The candidate will be responsible for on-time project
delivery, working on industrial and academic collaborations, with a strong emphasis on MD
simulations for enzyme engineering and catalytic mechanism.
Key Responsibilities
- Perform hands-on computational research in molecular simulations and enzyme modelling.
- Lead specific project modules while mentoring junior researchers.
- Ensure timely completion and delivery of project milestones.
- Perform Molecular Dynamics (MD) simulations of biological macromolecular systems
(proteins, enzymes, protein–ligand complexes).
- Design and execute QM/MM simulations to:
o Study enzyme catalytic mechanisms
o Model reaction pathways
o Perform transition state and electronic structure calculations
o Evaluate reaction energetics and free energy profiles
- Apply enhanced sampling techniques such as:
o Umbrella Sampling
o Meta dynamics
o FEP
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