- We are seeking a highly skilled and motivated Structural Biologist to join our drug discovery programs. The ideal candidate will bring deep expertise in macromolecular structure determination and modeling, with a focus on elucidating protein structures, analyzing ligand binding, and driving rational drug design in collaboration with computational and medicinal chemistry teams.

Key Responsibilities

- Analyze protein-ligand interactions to inform medicinal chemistry and lead optimization efforts.
- Conduct molecular dynamics (MD) simulations and free energy calculations to evaluate complex stability and binding energetics.
- Apply structural insights to guide hit-to-lead and lead optimization strategies.
- (Preferred) Utilize machine learning models to support binding site prediction or compound prioritization.

Required Skills & Experience:

- Robust expertise in structural biology techniques, such as crystallography, cryo-

EM, or NMR are desirable.

- Proficient in macromolecular modeling and structure refinement tools (e.g.,

Phenix, Coot, Chimera, PyMOL).

- Experience with protein-ligand docking, structure validation,



and interaction mapping.
- Hands-on experience with molecular dynamics simulations using tools such as

GROMACS, AMBER, NAMD, or CHARMM.

- Familiarity with structure-based drug design platforms (e.g., Schrödinger,

AutoDock).

- Scripting or programming experience (Python, R, Bash) for workflow automation and structural data analysis.

Preferred Qualifications

- Ph.D. in Structural Biology, Biophysics, Computational Biology or related field.
- Demonstrated experience in drug discovery pipelines, especially in target validation and lead optimization.
- (Preferred) Background in machine learning or AI applied to biomolecular structure or ligand interaction prediction.
- Strong publication record or demonstrated project impact in therapeutic development.

What We Offer

- Work on high-impact, discovery-stage therapeutic programs.
- Collaborative and interdisciplinary research environment.
- Access to state-of-the-art computational and structural biology platforms.

📌 Structural Biologist - PhD (Vapi)
🏢 Meril
📍 Vapi