Molecular Modeler
A Molecular Modeler uses computer-based techniques to model the structures, properties, and interactions of complex biological molecules. These simulations assist in drug discovery and other scientific research.
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Sample Job Descriptions for Molecular Modeler
Below are the some sample job descriptions for the different experience levels, where you can find the summary of the role, required skills, qualifications, and responsibilities.
Junior (0-2 years of experience)
Summary of the Role
As a Junior Molecular Modeler, you will be responsible for using computational chemistry tools to create and optimize molecular models, contributing to the understanding of molecular interactions and structure-function relationships in various scientific disciplines such as drug discovery, material science, and biochemistry.
Required Skills
- Familiarity with molecular dynamics software such as Amber or GROMACS.
- Experience with quantum chemistry programs like Gaussian or Q-Chem.
- Knowledge of cheminformatics and data analysis tools.
- Strong computational and mathematical skills.
- Attention to detail and ability to interpret complex data.
Qualifications
- Bachelor's degree in Chemistry, Biochemistry, Computational Chemistry, or a related field.
- Proficiency with computational chemistry software and molecular modeling tools.
- Understanding of chemical structures, molecular interactions, and related scientific principles.
- Excellent analytical and problem-solving skills.
- Ability to work collaboratively in a multidisciplinary team environment.
- Good communication skills, both verbal and written.
Responsibilities
- Building and refining molecular models using computational methods.
- Performing molecular simulations to predict the properties and behaviors of molecules.
- Analyzing computational results and generating reports for further review by the research team.
- Assisting in the design of new molecules for specific applications or studies.
- Collaborating with experimental chemists and other scientists to integrate computational findings with laboratory results.
- Maintaining up-to-date knowledge of software and computational techniques in the field of molecular modeling.
- Ensuring the integrity and accuracy of all molecular models and databases.
Intermediate (2-5 years of experience)
Summary of the Role
The Molecular Modeler is a specialized scientist who collaborates with a multidisciplinary team to apply computational chemistry techniques to design and analyze the structure of molecules. This role requires deep knowledge in chemistry and biology, as well as proficiency in a variety of molecular modeling software tools.
Required Skills
- Proficiency in molecular modeling and computational chemistry software.
- Strong analytical and problem-solving skills.
- Excellent communication and collaboration abilities.
- Ability to work independently as well as part of a team.
- Familiarity with high-performance computing environments.
Qualifications
- Bachelor's or Master's degree in Chemistry, Biochemistry, or a related field.
- Minimum of 2 years of experience in computational chemistry or molecular modeling.
- Strong understanding of chemical structures, properties, and interactions.
- Experience with molecular modeling software (e.g., AutoDock, Schrödinger Suite, AMBER).
Responsibilities
- Develop computational models of molecular structures and properties.
- Analyze experimental data to validate and refine computational models.
- Collaborate with synthetic chemists to design new compounds based on molecular modeling insights.
- Communicate findings and recommendations to the research team and stakeholders.
- Stay current with the latest advancements in computational chemistry and molecular modeling techniques.
Senior (5+ years of experience)
Summary of the Role
The Senior Molecular Modeler will be responsible for leading molecular modeling and computational chemistry efforts to support drug discovery and design. The individual will utilize a variety of computational techniques to predict molecular behaviors, simulate interactions, and analyze data for hypothesis generation and validation.
Required Skills
- Expertise in molecular modeling software and computational chemistry tools (e.g., Schrödinger suite, MOE, Rosetta, AMBER, etc.).
- Strong analytical and problem-solving skills.
- Ability to translate complex computational data into actionable drug design strategies.
- Excellent communication and collaborative skills to work effectively with cross-functional teams.
- Leadership and mentoring skills to guide junior team members.
- Project management skills to oversee multiple projects simultaneously.
Qualifications
- Ph.D. in Computational Chemistry, Biochemistry, Chemical Engineering, or a related field.
- Minimum of 5 years of experience in molecular modeling within the pharmaceutical or biotechnology industry.
- Proven track record in drug discovery and lead optimization projects.
- Experience with molecular dynamics simulations, free energy calculations, quantum mechanics, and structure-based and ligand-based drug design.
- Strong publication record demonstrating expertise in molecular modeling and computational chemistry.
Responsibilities
- Develop and apply advanced molecular modeling and computational chemistry techniques to support drug discovery and development projects.
- Analyze and interpret complex scientific data to inform molecular design and optimize lead compounds.
- Collaborate with medicinal chemists and project teams to design drug-like molecules with improved potency, selectivity, and pharmacokinetic properties.
- Harmonize computational and experimental approaches to solve multi-faceted scientific problems.
- Deliver presentations and reports on research findings to internal and external scientific audiences.
- Guide and mentor junior modelers and computational chemists.
- Stay abreast of latest developments in molecular modeling and related fields, and adopt innovative tools and methodologies.
- Manage external collaborations and contract research organization activities.
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