Job Description

About VeriSIM Life

VeriSIM Life is transforming drug discovery and development with AI-driven biosimulation. Our proprietary BIOiSIM platform predicts drug behavior across biological, chemical, and genetic systems, enabling faster, more cost-effective, and higher-success drug development. We work with top biotech and pharmaceutical companies to de-risk R&D and accelerate life-saving therapies.

About the Role

We are seeking a Senior Computational Chemist to help drive drug discovery initiatives, leveraging AI and computational methods to improve molecular design, ADME/Tox predictions, and translational modeling. This role will play a key part in integrating chemoinformatics, molecular simulations, and AI-driven modeling to optimize drug candidates for clinical success.

Key Responsibilities

• Apply computational chemistry, molecular modeling, and AI/ML-based methods to predict drug behavior, optimize lead candidates, and accelerate drug development.
• Develop and refine predictive models for ADMET properties, docking, and molecular interactions within VeriSIM's AI-powered BIOiSIM platform.
• Collaborate with cross-functional teams (biology, pharmacology, AI/ML, and data science) to enhance in silico to in vivo translation.
• Analyze and integrate large-scale chemical and biological datasets to improve prediction accuracy.
• Work with pharma and biotech partners to support drug repurposing, lead optimization, and mechanistic studies of small molecules and biologics.
• Contribute to publications, patents, and regulatory submissions supporting VeriSIM's drug development efforts.
• Prepare and deliver presentations, progress reports, and work proposals to biotech partners

Qualifications

• Ph.D. in Computational Chemistry, Medicinal Chemistry, Structural Biology, Computational Biophysics, Chemical Engineering, or a related field.
• 5+ years of experience in computational drug discovery, preferably within biotech, pharma, or AI-driven drug development. However, we are open to candidates with less experience if they demonstrate exceptional skills and expertise.
• Strong expertise in molecular dynamics (MD), quantum mechanics (QM), docking, homology modeling, and free energy calculations.
• Experience with chemoinformatics, AI/ML-driven molecular design, and multi-scale modeling is a plus.
• Proficiency with computational chemistry tools such as GROMACS/LAMMPS, NWChem/Psi4, RDKit, and AutoDock etc.
• Strong programming skills in Python (preferred) or C++ for modeling and data analysis are encouraged.
• Experience in AI-enhanced modeling and generative chemistry is a strong plus.
• Strong communication skills with the ability to work in interdisciplinary teams.

Why Join Us?

• Be at the forefront of AI-driven drug discovery/development, transforming how therapies are developed.
• Work with a world-class team of scientists, AI/ML experts, and industry leaders.
• Competitive compensation package with equity options.
• Opportunity to publish research and contribute to innovative IP.
• Remote-friendly work culture with flexibility and strong growth potential.

Diversity & Equal Opportunity

VeriSIM Life is an equal opportunity employer and is committed to fostering a diverse and inclusive workplace. We strongly encourage applications from individuals of all backgrounds, including but not limited to women, underrepresented minorities, individuals with disabilities, and veterans. We believe that diversity drives innovation and that unique perspectives strengthen our mission to revolutionize drug discovery.

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