Senior Computational Chemist - Molecular Modeling

Placements24; Willows (CA); On-site; USD 91,000 - 152,000; Full time

Benefits offered by this job

Competitive salary

Medical benefits

Retirement plan

Conference attendance

Career development

Job summary

Placements24 is seeking a Senior Computational Chemist to join our client’s R&D team in Welkom, Free State. You will apply advanced molecular modeling, docking, MD, and virtual screening to guide lead identification and optimization.

Collaborate with chemists, biologists, and pharmacologists to advance drug discovery from concept to early development. A PhD with 5+ years of industry experience and strong Python scripting are required.

Qualifications

• This role requires a Ph.D. in Computational Chemistry or related discipline.
• Minimum 5 years of experience in computational chemistry within pharma/biotech.
• Expertise in docking, virtual screening, pharmacophore modeling, and MD simulations.
• Proficiency with standard computational packages and scripting in Python.
• Strong problem-solving, analytical, and cross-functional collaboration skills.

Responsibilities

• Perform advanced molecular modeling to study protein-ligand interactions and predict binding affinities.
• Design and validate computational models to support lead identification and optimization.
• Collaborate with synthetic chemists to design novel molecules with feasible synthesis.
• Analyze complex data and communicate insights to project teams.
• Stay current with the latest methods in computational chemistry and drug discovery.

Skills

Molecular modeling

Docking

Virtual screening

Pharmacophore modeling

Molecular dynamics

Python

Education

PhD in Computational Chemistry or related

Tools

Schrödinger Suite

MOE

GROMACS

NAMD

Job description

About the Role

Our client is a leading pharmaceutical research company dedicated to discovering and developing innovative medicines. We are seeking a highly experienced Senior Computational Chemist to join our dynamic R&D team in **Welkom, Free State**. This role is critical in advancing our drug discovery programs through the application of sophisticated molecular modeling, cheminformatics, and computational chemistry techniques. You will play a key role in designing new chemical entities, predicting their properties, and guiding synthetic efforts. This position requires a strong blend of theoretical knowledge, practical computational skills, and an understanding of medicinal chemistry principles. You will collaborate closely with synthetic chemists, biologists, and pharmacologists to drive projects from concept to early-stage development.

Key Responsibilities

• Perform advanced molecular modeling, including docking, molecular dynamics, and QM/MM simulations to study protein-ligand interactions and predict binding affinities.
• Utilize cheminformatics tools and databases for compound library design, virtual screening, and property prediction (ADMET).
• Develop and validate computational models to support lead identification and optimization efforts.
• Collaborate with synthetic chemists to design novel molecules with desired pharmacological profiles and synthetic feasibility.
• Analyze and interpret complex computational and experimental data to provide actionable insights to project teams.
• Stay current with the latest advancements in computational chemistry, molecular modeling software, and drug discovery methodologies.
• Communicate research findings and recommendations effectively through reports and presentations.
• Contribute to the development of best practices and workflows for computational chemistry within the department.

Requirements

• Ph.D. in Computational Chemistry, Cheminformatics, Physical Chemistry, or a related discipline.
• Minimum of 5 years of experience in computational chemistry within the pharmaceutical or biotechnology industry.
• Expertise in molecular modeling techniques, including molecular docking, virtual screening, pharmacophore modeling, and molecular dynamics simulations.
• Proficiency with standard computational chemistry software packages (e.g., Schrödinger Suite, MOE, GROMACS, NAMD).
• Strong understanding of organic chemistry, medicinal chemistry, and structure-based drug design.
• Experience with scripting languages (e.g., Python) for data analysis and automation is beneficial.
• Excellent problem-solving and analytical skills.
• Strong communication and interpersonal skills, with the ability to work effectively in a collaborative team environment at our **Welkom** facility.

Benefits

Our client offers a competitive salary, comprehensive medical and retirement benefits, and performance-based bonuses. We provide opportunities for professional growth, attendance at relevant scientific conferences, and the chance to contribute to impactful drug discovery projects. Join our innovative team and help shape the future of medicine.