Remote Senior Computational Chemist — Drug Discovery Leader

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

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