Research Scientist

StrainX Biotech; United States; À distance; USD 120 000 - 180 000; Plein temps

Résumé du poste

Biopatrika is seeking a Research Scientist for Drug Discovery, focused on CADD, MD simulations, and bioinformatics. Remote work is available for US-based incorporation, with a PhD or 2–5 years of experience in computational science preferred.

The role emphasizes structure-based drug design, MD analysis, and collaboration with medicinal chemistry. Strong publications and IP contributions are a plus.

Qualifications

• PhD or equivalent with strong computational chemistry background.
• Experience in CADD, MD simulations, and target validation.
• Proven track record in drug discovery projects and collaborations.

Responsabilités

• Drive structure-based and ligand-based drug design from target ID to lead optimization.
• Execute docking, pharmacophore modeling, and QSAR to identify novel hits.
• Design, run, and analyze advanced MD simulations to support design decisions.
• Collaborate across biology, chemistry, and pharmacology teams; mentor juniors.

Connaissances

Molecular modeling

Structure-based design

QSAR & bioinformatics

Molecular dynamics

Formation

PhD in a relevant field

MS/MTech in Chemistry

Outils

GROMACS

AMBER

Molecular docking

QSAR modeling

Description du poste

Position:

Research Scientist/ – Drug Discovery, Bioinformatics, Computer-Aided Drug Design (CADD), and Molecular Dynamics (MD) simulations (typically targeting a Ph.D. scholar or senior computational scientist) (2 vacancies)

Department:

Drug Discovery, Computer-Aided Drug Design (CADD) & Molecular Modeling, Molecular Dynamics (MD) Simulations

Experience:

Ph.D Scholar or 2 – 5 yrs senior computational scientist

Location:

Remote for US based incorporation

Qualifications:

Ph.D, MSC, M.Tech (Organic Chemistry)

Core Job Responsibilities:

• Computer-Aided Drug Design (CADD) & Molecular Modeling: Drive structure-based and ligand-based drug design projects from target identification through lead optimization. Execute virtual screening, molecular docking, pharmacophore modeling, and Quantitative Structure-Activity Relationship (QSAR) studies to identify and prioritize novel hit compounds. Collaborate with medicinal chemistry teams to propose structural modifications for improving binding affinity, selectivity, and pharmacokinetic profiles.
• Molecular Dynamics (MD) Simulations: Design, execute, and analyze advanced MD simulations (e.g., protein-ligand stability, conformational sampling, free energy perturbation/FEP, and binding free energy calculations) to understand molecular mechanisms at an atomistic level. Interpret simulation trajectories to rationalize experimental assay results and guide rational drug design strategies. Optimize computational protocols and leverage high-performance computing (HPC) infrastructure for efficient simulation workflows.
• Bioinformatics & Target Validation: Analyze large-scale genomic, proteomic, and structural bioinformatics datasets to identify, validate, and prioritize novel drug targets. Perform sequence alignment, homology modeling, structural bioinformatics, and functional annotation of target proteins. Integrate multi-omics data with computational chemistry pipelines to support translational research and mechanism-of-action studies.
• Cross-Functional Collaboration & Project Leadership: Partner closely with biology, medicinal chemistry, and pharmacology teams to align computational predictions with experimental validation. Translate complex computational findings into clear, actionable insights for experimentalists and project stakeholders. Mentor junior researchers, Ph.D. interns, and research associates in bioinformatics and computational modeling workflows.
• Documentation & IP Generation: Maintain rigorous documentation of computational protocols, analysis pipelines, and project results in electronic lab notebooks (ELNs). Contribute significantly to research publications, conference presentations, and patent filings for novel therapeutic assets.