Sr. Director/Executive Director, Computational Chemistry at Prelude Therapeutics Incorporated

Wilmington, Delaware, United States -

Full Time

Start Date

Immediate

Expiry Date

30 Jun, 26

Salary

0.0

Posted On

01 Apr, 26

Experience

10 year(s) or above

Remote Job

Yes

Telecommute

Yes

Sponsor Visa

Skills

Computational Chemistry, Drug Discovery, Structure-Based Drug Design, AI/ML Applications, Molecular Docking, Virtual Screening, Molecular Dynamics, Free Energy Methods, Structural Biology, Generative Chemistry, Predictive Modeling, Cross-Functional Collaboration, Medicinal Chemistry, Scaffold Hopping, De Novo Design, Multi-Parameter Optimization

Industry

Biotechnology Research

Description

Description We are seeking a highly accomplished and hands-on Executive Director of Computational Chemistry to build and lead our computational drug discovery capabilities in a fast-growing biotech environment. This leader will drive the design of novel small molecules against high-value biological targets using structure-based drug design (SBDD), physics-based modeling, and cutting-edge AI/ML approaches. The successful candidate will directly contribute to active discovery programs while also leading the implementation of AI tools across the discovery organization. The Executive Director will serve as both a scientific driver and a platform builder, partnering closely with Medicinal Chemistry, Biology, Structural Biology, and executive leadership to accelerate pipeline progression. Key Responsibilities Scientific & Strategic Leadership · Define and execute computational chemistry strategy from target validation through candidate nomination. · Lead structure-based drug design efforts to enable hit identification and lead optimization. · Identify, evaluate, and deploy AI tools across medicinal chemistry, biology, DMPK, and translational research. Hands-On Drug Design · Personally contribute to programs using molecular docking, virtual screening, molecular dynamics, and free energy methods (FEP/TI). · Leverage structural biology data (X-ray, cryo-EM, homology models, AlphaFold) to guide rational design. · Drive scaffold hopping, de novo design, and multi-parameter optimization strategies. · Implement generative chemistry, predictive ADME/Tox models, and decision-support systems. · Promote AI adoption and literacy across the R&D organization. Requirements · Ph.D. in Computational Chemistry, Biophysics, Chemical Physics, or related discipline. · 5–20 years of industry experience supporting small-molecule drug discovery. · Demonstrated success partnering with medicinal chemistry programs that have advanced into clinical development · Deep expertise in SBDD, docking, molecular dynamics, FEP, and cheminformatics. · Strong working knowledge of AI/ML applications in molecular design, generative chemistry, and predictive modeling. · Hands-on leader who remains scientifically engaged. · Strong cross-functional collaborator with executive presence. · Passionate about building AI-enabled drug discovery platforms that deliver transformative therapeutics.

Responsibilities

The Executive Director will define and execute the computational chemistry strategy and lead structure-based drug design efforts. They will also identify and deploy AI tools across various research areas while contributing to active discovery programs.