Sr. Scientist/Principal Scientist, Computational Chemist

VidaVinci, Inc.; Cambridge (MA); On-site; USD 132,000 - 246,000; Full time

Job summary

A growing company in Cambridge is seeking a Sr. Scientist/Principal Scientist specializing in Computational Chemistry. The role involves applying advanced molecular modeling techniques to aid in drug discovery and collaborating with multidisciplinary teams. Ideal candidates will have a Ph.D. and extensive experience in molecular modeling and programming.

Qualifications

• 5+ years of experience in Computational Chemistry.
• Expertise in molecular modeling techniques.

Responsibilities

• Apply advanced molecular modeling techniques for drug design.
• Collaborate with experimental teams to validate predictions.

Skills

Molecular Modeling

Python

Collaboration

Problem Solving

Education

Ph.D. in Computational Chemistry

Tools

Gromacs

OpenMM

RDKit

OpenEye

Google Cloud

Job description

Sr. Scientist/Principal Scientist, Computational Chemist

Sr. Scientist/Principal Scientist, Computational Chemist

Direct message the job poster from VidaVinci, Inc.

HR Advisor | HR Business Partner | Fractional HR Leader | Compensation and Benefits | Ad hoc project work |

We are seeking an experienced Computational Chemist to join our innovative drug discovery team focused on developing next-generation therapeutics. This is a unique opportunity to be a key contributor to our small but growing company. Your primary role will be to collaborate directly with multidisciplinary drug discovery teams in ongoing programs by applying molecular modelling techniques and analysis, especially at the hit generation and lead optimization stages. You will also shape the computational tools and techniques we bring in house or develop as we expand our computational platform.

Key Responsibilities

1. Apply advanced molecular modeling techniques to inform the design of novel therapeutics, including docking, molecular dynamics, free energy calculations, and conformational analysis.
2. Develop and implement custom computational workflows to integrate experimental and computational data, calculate and predict ADME and physical properties, and generate actionable hypotheses.
3. Optimize existing scaffolds by analyzing structure-activity relationships (SAR) and proposing modifications based on computational insights.
4. Use and refine predictive models (e.g., QSAR, ML-based tools, prediction of observables from simulation) to guide compound prioritization.
5. Collaborate closely with experimental chemists and biologists to validate and refine computational predictions.
6. Evaluate, select, and refine state-of-the-art software and tools for modeling, simulations, and cheminformatics.

Job Requirements

1. Ph.D. in Computational Chemistry, Biophysics, Physical Chemistry, or a related field with 5+ years of experience.
2. Expertise in molecular modeling techniques such as docking, pocket characterization, enhanced sampling molecular simulation (Gromacs/OpenMM), and free energy methods.
3. Proficiency in Python programming for workflow automation, data analysis, and custom tool development.
4. Experience with cloud-based computational infrastructure, particularly Google Cloud, is a plus.
5. Familiarity with cheminformatics platforms (e.g., RDKit, OpenEye).
6. Proven ability to work collaboratively in a multidisciplinary environment, communicate effectively, and translate computational insights into actionable hypotheses.
7. Passion for solving complex problems and contributing to cutting-edge drug discovery.

Seniority level

• Mid-Senior level

Employment type

• Full-time

Job function

• Research

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Cambridge, MA $132,300.00-$245,700.00 5 days ago