Senior Computational Chemist

Placements24; Sandton; Hybrid; ZAR 1,992,000 - 2,988,000; Full time

Job summary

Placements24 is seeking a Senior Computational Chemist for a fully remote role in pharmaceutical research. You will design and optimize therapeutic agents using molecular docking, dynamics, QSAR, and virtual screening, collaborating with medicinal chemists and biologists to advance drug discovery projects.

The ideal candidate has a Ph.D. in a related field, 5+ years of industry experience, strong scripting in Python, and proficiency with Schrödinger, MOE, AutoDock, and GROMACS, plus HPC

Qualifications

• Ph.D. in Computational Chemistry, Cheminformatics, Medicinal Chemistry, or related field with strong computational focus.
• Minimum of 5 years of relevant experience in computational chemistry, preferably in the pharmaceutical industry.
• Proficiency with standard computational chemistry software packages (e.g., Schrödinger Suite, MOE, AutoDock, GROMACS).
• Strong understanding of molecular modeling, molecular mechanics, quantum mechanics, and statistical mechanics.
• Experience with cheminformatics toolkits and databases.
• Proficiency in scripting languages such as Python for automation and data analysis.
• Excellent analytical and problem-solving skills, with a keen eye for detail.
• Strong communication and interpersonal skills, capable of working effectively in a remote, collaborative team.
• Experience with Linux/Unix operating systems and high-performance computing (HPC) environments is essential.
• A strong publication record demonstrating expertise in computational chemistry.

Responsibilities

• Apply computational chemistry methods such as molecular docking, molecular dynamics, QSAR, and virtual screening to identify and optimize lead compounds.
• Develop and maintain computational chemistry workflows for high-throughput screening and hit-to-lead optimization.
• Collaborate closely with medicinal chemists and biologists to provide computational support for drug discovery projects.
• Design novel molecules with desired properties using structure-based and ligand-based approaches.
• Analyze and interpret computational chemistry results, translating them into actionable recommendations for synthetic chemistry.
• Stay current with the latest advancements in computational chemistry software, methodologies, and scientific literature.
• Contribute to the development and implementation of new computational tools and databases.
• Prepare reports, presentations, and contribute to scientific publications.
• Ensure the integrity and reproducibility of computational chemistry analyses.
• Manage computational resources and contribute to infrastructure development.

Education

Ph.D. in Computational Chemistry / Cheminformatics / Medicinal Chemistry

Tools

Schrödinger Suite

MOE

AutoDock

GROMACS

Python

Linux/Unix HPC

Job description

About the Role

Our client, a forward-thinking pharmaceutical research organization, is seeking a Senior Computational Chemist to join their innovative drug discovery team. This role is entirely remote, allowing you to contribute from your preferred workspace. You will play a key role in designing novel therapeutic agents by applying advanced computational chemistry techniques, including molecular modeling, virtual screening, and cheminformatics. This is an exciting opportunity to work on challenging projects with significant impact on human health, collaborating with a diverse and talented group of scientists. We are looking for a candidate with a strong foundation in computational chemistry principles and a proven ability to apply these skills to drug discovery challenges. The successful candidate will be an integral part of our client's mission to discover and develop innovative medicines.

Key Responsibilities

Apply computational chemistry methods such as molecular docking, molecular dynamics, QSAR, and virtual screening to identify and optimize lead compounds. Develop and maintain computational chemistry workflows for high-throughput screening and hit-to-lead optimization. Collaborate closely with medicinal chemists and biologists to provide computational support for drug discovery projects. Design novel molecules with desired properties using structure-based and ligand-based approaches. Analyze and interpret computational chemistry results, translating them into actionable recommendations for synthetic chemistry. Stay current with the latest advancements in computational chemistry software, methodologies, and scientific literature. Contribute to the development and implementation of new computational tools and databases. Prepare reports, presentations, and contribute to scientific publications. Ensure the integrity and reproducibility of computational chemistry analyses. Manage computational resources and contribute to infrastructure development.

Requirements

• Ph.D. in Computational Chemistry, Cheminformatics, Medicinal Chemistry, or a related field with a strong computational focus.
• Minimum of 5 years of relevant experience in computational chemistry, preferably within the pharmaceutical industry.
• Proficiency with standard computational chemistry software packages (e.g., Schrödinger Suite, MOE, AutoDock, GROMACS).
• Strong understanding of molecular modeling, molecular mechanics, quantum mechanics, and statistical mechanics.
• Experience with cheminformatics toolkits and databases.
• Proficiency in scripting languages such as Python for automation and data analysis.
• Excellent analytical and problem-solving skills, with a keen eye for detail.
• Strong communication and interpersonal skills, capable of working effectively in a remote, collaborative team.
• Experience with Linux/Unix operating systems and high-performance computing (HPC) environments is essential.
• A strong publication record demonstrating expertise in computational chemistry.

Benefits

Our client offers a highly competitive salary and a comprehensive benefits package, including excellent health, dental, and vision insurance. As a fully remote position, you will enjoy significant flexibility and work-life balance. Opportunities for professional development, including attending conferences and training programs, are provided. Access to cutting-edge computational resources and software is available. A generous paid time off policy encourages rest and rejuvenation. Retirement savings plans with employer matching are offered. Our client fosters a dynamic and collaborative remote environment that values scientific rigor and innovation.