Computational Biophysicist

**Company Overview**:
Grafton Biosciences is a biotech startup focused on solving disease through groundbreaking innovations in early detection, diagnostics, and therapeutics. We combine cutting-edge molecular and synthetic biology, machine learning, device engineering, and manufacturing to deliver transformative solutions. Our mission is to fundamentally extend healthy human lifespans creating the necessary conditions for humanity to conduct a meaningful search for extraterrestrial life. We’re looking for passionate team members who want to shape the future.

**Position Summary**:
**Key Responsibilities**:

- Design, set up, execute, and analyze complex molecular dynamics simulations.
- Employ and critically evaluate various enhanced sampling methods (e.g., metadynamics, umbrella sampling, replica exchange, steered MD) to explore conformational landscapes and rare events.
- Perform rigorous free energy calculations (e.g., FEP, TI, BAR, MM/PBSA, MM/GBSA) to predict binding affinities, solvation energies, transition barriers, or other relevant thermodynamic properties.
- Contribute to the development, parameterization, and validation of classical force fields tailored to specific chemical systems or research questions.
- Analyze large datasets generated from simulations using statistical mechanics principles and scripting/programming tools.
- Interpret simulation results in the context of project goals and underlying scientific questions, generating actionable insights.
- Collaborate closely with experimental scientists to design experiments and interpret data.
- Work effectively within a multidisciplinary team environment, communicating complex computational results clearly.

**Required Qualifications**:

- Demonstrated **high agency** and autonomy; proactively identifies challenges, defines solutions, and drives progress with no supervision in a fast-paced, ambiguous environment.
- PhD in Computational Chemistry, Biophysics, Chemical Physics, Theoretical Chemistry, Physics, or a closely related field.
- Demonstrated deep expertise and a strong theoretical foundation in statistical mechanics and molecular simulation principles.
- Proven hands-on experience in:

- Molecular Dynamics (MD) simulations.
- Advanced Enhanced Sampling techniques.
- Free Energy Calculation methodologies.
- Application of Quantum Mechanics (QM) in molecular modeling contexts (e.g., QM/MM, parameter generation).
- Force Field Development, parameterization, and/or validation.
- Proficiency with major molecular modeling software packages (e.g., GROMACS, AMBER, NAMD, CHARMM, OpenMM, LAMMPS) and QM software (e.g., Gaussian, ORCA, Q-Chem, NWChem).
- Strong programming/scripting skills for simulation setup, data analysis, and workflow automation (e.g., Python, Bash, Perl, Tcl).
- Excellent analytical and problem-solving skills.
- Strong scientific track record demonstrated through publications and presentations.
- Excellent written and verbal communication skills.

**Preferred Qualifications**:

- Postdoctoral research experience.
- Experience working in high-performance computing (HPC) environments.
- Familiarity with version control systems (e.g., Git).

Pay: ₹7,500,000.00 - ₹9,000,000.00 per year

Supplemental Pay:

- Performance bonus

Application Question(s):

- Why are you a fit for this role?
- How soon can you begin?

Work Location: In person