Senior Computational Chemist - Drug Discovery

Placements24; Cape Town; Hybrid; ZAR 1,200,000 - 1,800,000; Full time

Benefits offered by this job

Competitive salary

Stock options

Medical insurance

Professional development

Remote-friendly

Job summary

Placements24 seeks a Senior Computational Chemist for a fully remote role within South Africa. You will lead computational drug discovery efforts, perform molecular modeling, docking, and SAR analyses, and work closely with cross-functional teams to accelerate lead optimisation.

The ideal candidate holds a PhD in Computational Chemistry or related field with 5–7 years of hands-on industry experience and strong programming skills in Python or R.

Qualifications

• Ph.D. in Computational Chemistry, Cheminformatics or a closely related field.
• 5–7 years hands-on experience in computational chemistry applied to drug discovery.
• Proficiency with standard computational chemistry software packages (Schrödinger, MOE, GROMACS, AMBER) and data visualization.
• Experience with Python or R for data analysis and workflow automation.

Responsibilities

• Apply computational chemistry techniques (molecular modeling, docking, simulations) to drug discovery projects.
• Design and execute virtual screening strategies for large libraries.
• Develop SAR models to guide lead optimisation.
• Collaborate with medicinal chemists, biologists and pharmacologists to translate insights into experiments.
• Analyze large datasets from high-throughput screening and other sources.
• Develop novel computational methods and workflows for drug discovery challenges.
• Contribute to design of target molecules with desired pharmacology.
• Document findings and contribute to publications.

Skills

Python

R

Independent work

Analytical thinking

Communication

Education

Ph.D. in Computational Chemistry or Cheminformatics

Tools

Schrödinger

MOE

GROMACS

AMBER

Job description

About the Role

Our client, a pioneering biotechnology firm at the forefront of pharmaceutical innovation, is seeking a highly skilled and motivated Senior Computational Chemist to join their dynamic drug discovery team. This is a fully remote position, offering the flexibility to work from anywhere within **South Africa**, while contributing to cutting-edge research that transforms lives. You will play a crucial role in applying computational methodologies to accelerate the identification and optimization of novel therapeutic agents. Your responsibilities will include designing virtual screening campaigns, performing molecular modeling and simulations, and analyzing complex biological and chemical data to guide experimental efforts. Your ideal candidate possesses a Ph.D. in Computational Chemistry, Cheminformatics or a related discipline, with extensive experience in modern drug discovery pipelines and a strong publication record. This is an exceptional opportunity to leverage your expertise in a remote, research-intensive environment focused on significant advancements in medicine.

Key Responsibilities

• Apply advanced computational chemistry techniques, including molecular modeling, docking, and simulation, to drug discovery projects.
• Design and execute virtual screening strategies to identify promising hit compounds from large chemical libraries.
• Develop and refine structure-activity relationship (SAR) models to guide lead optimisation efforts.
• Collaborate closely with medicinal chemists, biologists and pharmacologists to integrate computational insights into experimental workflows.
• Analyze and interpret large datasets from high-throughput screening and other experimental sources.
• Develop and implement novel computational methods and workflows to address specific drug discovery challenges.
• Contribute to the design of target molecules with desired pharmacological profiles.
• Maintain a strong understanding of the latest advancements in computational chemistry and drug discovery.
• Document research findings thoroughly and contribute to patent applications and scientific publications.

Requirements

• Ph.D. in Computational Chemistry, Cheminformatics, Biologically Related Chemistry, or a closely related field.
• A minimum of 5-7 years of hands-on experience in computational chemistry applied to drug discovery within the pharmaceutical or biotechnology industry.
• Proficiency in standard computational chemistry software packages (e.g., Schrödinger, MOE, GROMACS, AMBER) and visualization tools.
• Experience with programming languages such as Python or R for data analysis and workflow automation.
• Deep understanding of molecular mechanics, quantum mechanics and statistical mechanics principles.
• Proven ability to work independently and manage multiple projects in a **remote** setting.
• Excellent analytical, problem-solving and critical thinking skills.
• Strong written and verbal communication skills, with the ability to effectively present complex scientific information.
• A collaborative spirit and the ability to work effectively within a distributed, multidisciplinary team.

Benefits

• Highly competitive salary and bonus structure reflecting your expertise.
• Comprehensive medical, dental, and vision insurance coverage.
• Generous stock options and long-term incentive plans.
• Opportunities for professional development, attending leading scientific conferences, and publishing research.
• Flexible work schedule and the ability to work from anywhere in **South Africa**.
• Access to state-of-the-art computational resources and software.
• Be part of a mission-driven organization focused on developing life-changing medicines.