Computational Chemistry, Structural Biology & Drug Discovery Scientist (PhD)

Remotebridge; United States; Remote; USD 120,000 - 180,000; Full time

Job summary

Remotebridge is seeking a Computational Chemistry, Structural Biology & Drug Discovery Scientist (PhD) on a contract basis. Working remotely worldwide, you will design challenging scientific problems in computational chemistry, review AI model outputs for accuracy, and develop rubrics grounded in literature.

You will apply molecular modeling and simulation insights, structure prediction, docking, and cheminformatics to guide AI training.

Qualifications

• PhD in a closely related field as specified.
• Hands-on wetlab research experience in academia or industry.
• Professional written and spoken English at C1 level or higher.

Responsibilities

• Design and write challenging, expert-level scientific problems in computational chemistry, structural biology, and drug discovery, with clear, verifiable solutions.
• Review and evaluate AI model outputs for scientific accuracy, rigor, and depth of reasoning, identifying subtle errors that non-specialists would miss.
• Develop detailed rubrics and reference answers grounded in the primary literature and established methodology.
• Apply domain expertise across areas such as molecular modeling and simulation, protein structure prediction and design, virtual screening and docking, QSAR/ADMET modeling, and proteomics/metabolomics data analysis.
• Provide clear written explanations of your reasoning, so that other experts can follow and validate it.
• Meet quality standards through iterative feedback and peer review cycles.

Skills

Wetlab experience

English proficiency (C1+)

Scientific writing

Clear scientific communication

Education

PhD in Computational Chemistry/Structural Biology/Biophysics/Bioinformatics/Medicinal Chemistry/Biochemistry

Tools

GROMACS

AMBER

NAMD

OpenMM

Rosetta

AlphaFold

Cryo-EM/X-ray data interpretation

AutoDock

Glide

Schrödinger Suite

MOE

RDKit

QSAR/QSPR

ADMET prediction

LC-MS/MS

MaxQuant

Job description

Role Title:

Computational Chemistry, Structural Biology & Drug Discovery Scientist (PhD)

Role Type:

Contractor

Location:

Remote (Worldwide)

Job Summary:

In this role, you'll apply your expertise to help train next-generation AI systems. Your work will shape how models learn, reason, and perform through high-quality, real-world input.

Key Responsibilities

• Design and write challenging, expert-level scientific problems in computational chemistry, structural biology, and drug discovery, with clear, verifiable solutions.
• Review and evaluate AI model outputs for scientific accuracy, rigor, and depth of reasoning, identifying subtle errors that non-specialists would miss.
• Develop detailed rubrics and reference answers grounded in the primary literature and established methodology.
• Apply domain expertise across areas such as molecular modeling and simulation, protein structure prediction and design, virtual screening and docking, QSAR/ADMET modeling, and proteomics/metabolomics data analysis.
• Provide clear written explanations of your reasoning, so that other experts can follow and validate it.
• Meet quality standards through iterative feedback and peer review cycles.

Required Qualifications (MUST)

• PhD in Computational Chemistry, Structural Biology, Biophysics, Bioinformatics, Medicinal Chemistry, Biochemistry, or a closely related field.
• Hands-on research experience in an academic or industry lab (wetlab experience is a plus).
• Professional written and spoken English (C1 or higher).

Preferred Skills

• Postdoctoral or industry research experience (pharma/biotech) in drug discovery or structural biology.
• Strong publication record, particularly first-author papers in relevant journals.
• Molecular modeling and simulation: GROMACS, AMBER, NAMD, OpenMM, free energy methods (FEP/TI).
• Structure prediction and design: AlphaFold, Rosetta, homology modeling, cryo-EM / X-ray crystallography data interpretation.
• Docking and virtual screening: AutoDock, Glide, Schrödinger Suite, MOE.
• Cheminformatics: RDKit, QSAR/QSPR, ADMET prediction, fingerprinting, library design.
• Proteomics and metabolomics: LC-MS/MS, MaxQuant, DIA/DDA workflows, PTM analysis, untargeted metabolomics.
• Programming: Python (required in practice), plus R, Bash, or similar; experience with ML for molecular property prediction (GNNs, generative models) is a plus.
• Experience with benchmarking, model evaluation, or scientific writing/reviewing.
• Ability to explain complex scientific concepts clearly and precisely in writing.