Senior Computational Chemist

Placements24; Benoni; On-site; ZAR 900,000 - 1,300,000; Full time

Benefits offered by this job

Competitive salary

Medical, dental, and vision insurance

Retirement savings plan with company 1

Generous paid time off

Professional development opportunities

Access to HPC clusters

Job summary

Placements24 in Benoni, South Africa, seeks a Senior Computational Chemist to join a leading pharmaceutical R&D team. You will design and execute in silico experiments to drive drug discovery and lead optimization.

Collaborate with medicinal chemists, biologists, and pharmacologists to prioritize candidates, analyze SAR, and build computational workflows. Strong scripting and HPC experience are highly valued.

Qualifications

• PhD in Computational Chemistry, Cheminformatics, Organic Chemistry or related field.
• 5+ years post-doctoral or industry experience in computational chemistry for drug discovery.
• Expertise in molecular modeling, docking, dynamics, and QM calculations.
• Proficiency with Schrödinger, MOE, GROMACS, AMBER, Gaussian.
• Strong knowledge of cheminformatics with RDKit/KNIME/PubChem.
• Experience with SAR analysis and scripting (Python) is desirable.

Responsibilities

• Perform molecular modeling, virtual screening, and MD simulations to support programs.
• Utilize cheminformatics tools for property prediction, lead optimization, SAR analysis.
• Design and interpret in silico experiments to guide synthesis and validation.
• Collaborate with medicinal chemists to prioritize drug candidates.
• Work with biologists/pharmacologists to understand targets and MOA.
• Develop new computational workflows to boost research efficiency.
• Analyze and report results to project teams and management.
• Stay updated on advances in computational chemistry and drug discovery.
• Contribute to literature and present findings at conferences.

Skills

Molecular modeling

Docking

Molecular dynamics

Quantum mechanics

Python

SAR analysis

Education

PhD in Computational Chemistry or related field

Tools

Schrödinger Suite

MOE

GROMACS

AMBER

Gaussian

RDKit

KNIME

PubChem

Job description

About the Role

Our client, a leading pharmaceutical research organization, is seeking a Senior Computational Chemist to join their dedicated R&D division in Benoni. This role is central to driving drug discovery and development efforts through advanced molecular modeling, simulation, and cheminformatics. You will be responsible for designing and executing in silico experiments to predict molecular properties, optimize lead compounds, and understand drug-target interactions. This position offers a unique opportunity to work with state-of-the-art computational tools and collaborate with experimental chemists, biologists, and pharmacologists to accelerate the development of novel therapeutics. We are looking for an experienced computational chemist with a passion for medicinal chemistry and a proven ability to contribute significantly to the drug discovery pipeline.

Key Responsibilities

• Perform molecular modeling, virtual screening, and molecular dynamics simulations to support drug discovery programs.


• Utilize cheminformatics tools and databases for property prediction, lead optimization, and SAR analysis.


• Design and interpret in silico experiments to guide synthetic efforts and experimental validation.


• Collaborate with experimental medicinal chemists to prioritize and synthesize promising drug candidates.


• Work closely with biologists and pharmacologists to understand target binding and mechanism of action.


• Develop and implement new computational methodologies and workflows to enhance research efficiency.


• Analyze and report results clearly and concisely to project teams and management.


• Stay updated on the latest advancements in computational chemistry, cheminformatics, and drug discovery.


• Contribute to the scientific literature and present findings at relevant conferences.

Requirements

• Ph.D. in Computational Chemistry, Cheminformatics, Organic Chemistry, or a related field.


• A minimum of 5 years of post-doctoral or industry experience in computational chemistry, with a focus on drug discovery.


• Proven expertise in molecular modeling, docking, molecular dynamics, and quantum mechanics calculations.


• Proficiency with computational chemistry software packages (e.g., Schrödinger Suite, MOE, GROMACS, AMBER, Gaussian).


• Strong knowledge of cheminformatics principles and experience with relevant software/databases (e.g., RDKit, KNIME, PubChem).


• Experience in analyzing and interpreting structure-activity relationships (SAR).


• Excellent problem-solving, analytical, and communication skills.


• Ability to work independently and effectively within a multidisciplinary team in Benoni .


• Experience with scripting languages (e.g., Python) for workflow automation is highly desirable.

Benefits

Our client offers a competitive salary, commensurate with experience, and includes a comprehensive benefits package featuring medical, dental, and vision insurance, a retirement savings plan with company contributions, and generous paid time off. We provide opportunities for professional development, including access to specialized training, workshops, and participation in scientific conferences. Employees have access to high-performance computing clusters and cutting-edge software licenses at our facility in Benoni . The company fosters a collaborative research environment focused on innovation and scientific excellence. There are significant opportunities for career advancement within a dynamic pharmaceutical R&D setting. Join our team and contribute to the development of life-changing medicines.