Lead Computational Chemist - Molecular Modeling

Placements24; Bloemfontein; Hybrid; ZAR 1,990,000 - 2,986,000; Full time

Benefits offered by this job

Highly competitive salary

Stock options

Fully remote work environment

Home office setup allowance

Health/dental/vision insurance

Professional development

Access to cutting-edge computational资源

Career advancement opportunities

Job summary

Placements24 is seeking a Lead Computational Chemist to direct a global remote team focused on advanced molecular modeling and drug discovery. You will guide a group of computational chemists, design novel drug candidates, and predict drug-target interactions using MD, QM, and docking, while collaborating across medicinal chemistry, biology, and pharmacology to accelerate programs.

The role emphasizes scientific leadership, publication activity, IP generation, and leveraging HPC/cloud resources

Qualifications

• Ph.D. in Computational Chemistry, Cheminformatics, Physical Chemistry or related field.
• Post‑doctoral experience in computational chemistry, 8+ years preferred, with drug discovery focus.
• Proven leadership experience managing a team of computational scientists.
• Proficiency with molecular modeling software such as Schrödinger Suite, AMBER, GROMACS, Gaussian.
• Strong background in quantum mechanics, statistical mechanics and physical organic chemistry.
• Programming proficiency in Python and data analysis tooling.
• Demonstrated publications and patents in drug discovery.

Responsibilities

• Lead and mentor a team of computational chemists in molecular modeling and simulation projects.
• Develop and apply computational chemistry methodologies including MD, QM, and docking.
• Design novel drug candidates with desired properties using computational methods.
• Interpret simulation data to guide experiments and synthesis planning.
• Collaborate with medicinal chemists, biologists, and pharmacologists on drug discovery programs.
• Oversee validation and optimization of models and workflows.
• Stay updated on advances in computational chemistry and cheminformatics.

Skills

Leadership

Molecular modeling

Python

Analytical thinking

Communication

Team management

Cloud HPC

Education

PhD in Computational Chemistry or related field

Tools

Schrödinger Suite

AMBER

GROMACS

Gaussian

Job description

About the Role

Our client is a global pharmaceutical research leader seeking an innovative Lead Computational Chemist to join their esteemed, fully remote scientific team. This pivotal role involves directing advanced molecular modeling and simulation efforts to accelerate drug discovery and development. You will guide a team of computational chemists in designing novel molecular entities, predicting drug-target interactions, and optimizing compound properties using state-of-the‑art computational techniques. As a leader in this field, you will play a crucial role in shaping the computational chemistry strategy and fostering a culture of scientific excellence and innovation. This is an exceptional opportunity for a seasoned computational chemist to make a significant impact on human health from the convenience of a remote work setup.

Key Responsibilities

• Lead and mentor a team of computational chemists in executing molecular modeling and simulation projects.
• Develop and apply advanced computational chemistry methodologies, including molecular dynamics, quantum mechanics, and docking simulations.
• Design novel drug candidates with desired pharmacological properties using computational approaches.
• Analyze and interpret simulation data to guide experimental design and chemical synthesis efforts.
• Collaborate closely with medicinal chemists, biologists, and pharmacologists to advance drug discovery programs.
• Oversee the validation and optimization of computational models and workflows.
• Stay abreast of the latest advancements in computational chemistry, cheminformatics, and drug discovery technologies.
• Contribute to intellectual property generation through patent applications and scientific publications.
• Manage project timelines and resources effectively to meet research objectives.
• Ensure high standards of scientific rigor, documentation, and reproducibility in all computational work.

Requirements

• Ph.D. in Computational Chemistry, Cheminformatics, Physical Chemistry, or a related field.
• A minimum of 8 years of post‑doctoral experience in computational chemistry, with a focus on drug discovery.
• Proven experience in leading and managing a team of computational scientists.
• Expertise in molecular modeling software packages (e.g., Schrödinger Suite, AMBER, GROMACS, Gaussian).
• Strong understanding of quantum mechanics, statistical mechanics, and physical organic chemistry principles.
• Proficiency in programming languages such as Python and experience with data analysis tools.
• Demonstrated track record of successful contributions to drug discovery programs, evidenced by publications and patents.
• Excellent analytical and problem‑solving skills.
• Exceptional communication and interpersonal skills, with the ability to foster collaboration in a remote setting.
• Experience with high‑performance computing environments and cloud‑based computational resources.

Benefits

• Highly competitive salary and performance‑based bonus structure.
• Comprehensive health, dental, and vision insurance.
• Significant stock options and long‑term incentive plans.
• Flexible working hours and a fully remote work environment.
• Generous allowance for home office setup and professional development.
• Access to cutting‑edge computational resources and software licenses.
• Opportunities for career advancement and leadership within a globally recognized organization.
• Collaborative and intellectually stimulating virtual team environment.
• Contribution to life‑saving drug development projects.