1

Molecular Docking Jobs (NOW HIRING)

Collaborate closely with Data Science and Computational teams to apply in silico drug discovery approaches, including molecular docking, structure-based modeling, and AI/ML-driven prediction methods ...

Postdoctoral Fellow I

Logan, UT · On-site

$42K - $57K/yr

Structure-based computational screening using molecular docking, highthroughput virtual screening, and molecular dynamics (MD) simulations, and (iii) Implementation of a public database and ...

Postdoctoral Fellow I

Logan, UT · On-site

$42K - $57K/yr

Structure-based computational screening using molecular docking, highthroughput virtual screening, and molecular dynamics (MD) simulations, and (iii) Implementation of a public database and ...

next page

Showing results 1-20

Molecular Docking information

What is a Molecular Docking job?

A molecular docking job involves using computational techniques to predict the interaction between molecules, such as a drug candidate and a target protein. Researchers in this field use specialized software to model binding affinities, optimize molecular structures, and analyze potential therapeutic effects. This role is often found in pharmaceutical research, bioinformatics, and drug discovery, requiring expertise in molecular modeling, chemistry, and computational biology.

What are the key skills and qualifications needed to thrive in the Molecular Docking position, and why are they important?

To thrive in a Molecular Docking role, you need strong expertise in computational chemistry, structural biology, and molecular modeling, often supported by an advanced degree in a related field. Familiarity with molecular docking software (such as AutoDock or Schrödinger Suite), programming languages (like Python or R), and experience with high-performance computing are typically required. Attention to detail, analytical thinking, and effective communication are valuable soft skills for collaborating and presenting complex findings. These capabilities are essential for accurately predicting molecular interactions, driving scientific discovery, and contributing to successful multidisciplinary projects.

What does a typical day look like for someone working in Molecular Docking?

A typical day in Molecular Docking often involves running computational simulations to predict how small molecules interact with biological targets, analyzing and interpreting the resulting data, and preparing reports or presentations for research teams. You may also spend time troubleshooting software issues, developing scripts to automate workflows, and staying up to date with the latest scientific literature. Collaboration is common, as you’ll likely work closely with medicinal chemists, structural biologists, and other computational scientists to refine hypotheses and guide experimental design. This multifaceted environment provides opportunities to continually learn and apply new techniques, making the day-to-day work both intellectually stimulating and impactful.

More about Molecular Docking jobs
What cities are hiring for Molecular Docking jobs? Cities with the most Molecular Docking job openings:
What states have the most Molecular Docking jobs? States with the most job openings for Molecular Docking jobs include:

Director, Molecular Pharmacology

Deep Apple Therapeutics, Inc

South San Francisco, CA • On-site

$200K - $240K/yr

Full-time

Posted 15 days ago


Key responsibilities

  • Lead, mentor, and develop a team of scientists and technicians in molecular pharmacology.

  • Design, develop, and implement pharmacology assays to support drug discovery across the portfolio.

  • Oversee CRO relationships for in vitro pharmacology screening, ensuring quality, timelines, and cost-effectiveness.


Job description

Deep Apple Therapeutics is a Bay Area biotechnology company with a focus on combining capabilities in molecular docking and structural biology to create a nucleus for accelerated drug discovery through advanced computer aided drug design technologies. Deep Apple Therapeutics is applying a state-of-the-art technology research platform based on advanced computational modeling and large-scale compound docking (LSD), cryo-EM based structural biology, and deep learning to drug discovery.
We are seeking highly motivated and energetic scientists to join a dynamic and well-funded research organization. We have multiple openings in molecular biology, structural biology, deep learning and in vitro biology. Deep Apple Therapeutics offers a highly competitive compensation, equity, and benefits package.
The Role
We are seeking an experienced entrepreneurial leader to serve as Director of Molecular Pharmacology, driving small molecule research discovery at Deep Apple Therapeutics. Reporting to the Head of Biology, you will lead a team of scientists and technicians, building and executing the pharmacology strategy that advances compounds from early screening through candidate nomination. You will serve as the molecular pharmacology subject matter expert across our portfolio, contributing in vitro and in vivo expertise directly to project teams.
Essential Duties
  • Lead, mentor, and develop a team of scientists and technicians, cultivating a culture of scientific excellence and drug hunter mindset.
  • Design, develop, and implement pharmacology assays to support drug discovery across the portfolio.
  • Characterize small molecule pharmacology, mechanisms of action, and signal transduction pathways on targeted receptors.
  • Serve as the molecular pharmacology subject matter expert, contributing scientific rigor and strategic thinking across all portfolio programs.
  • Oversee CRO relationships for in vitro pharmacology screening, ensuring quality, timelines, and cost-effectiveness.
  • Build internal and external scientific networks that expand the Biology group's capabilities and accelerate portfolio delivery.

Preferred Education and Experience
  • PhD in Pharmacology, Biochemistry, Molecular Biology, or a related field.
  • 8+ years of industry experience in small molecule drug discovery, with deep expertise in receptor pharmacology.

Preferred Skills, Qualifications, or Technical Proficiencies
  • Demonstrated expertise in molecular pharmacology assay development, with specific knowledge of GPCR signal transduction.
  • Hands-on expertise in compound screening and molecular/cellular techniques to interrogate target biology and mechanisms of action
  • Proven ability to lead and develop scientific teams in a biotech or pharmaceutical setting.

At Deep Apple, we value diversity, encourage professional growth, and provide competitive benefits and compensation.
Deep Apple is an equal opportunity employer. We celebrate diversity and are committed to creating an inclusive environment for all employees.