Post-doc Computer-Aided Drug Design
Core
Develop and apply Computer-Aided Drug Design (CADD) methodologies to improve molecular understanding of ligand-protein interactions and design novel small-molecule compounds for Alzheimer's disease.
Role type
Post-doc Computer-Aided Drug Design researcher
Builds
Novel small-molecule, drug-like compounds for Alzheimer's disease
Domain
Pharmaceutical industry + computational chemistry
Deliverable
production ML models | research
Required skills
ligand-protein interaction prediction, fragment-based drug design, structure-based drug design, structure-activity relationships, protein-structure prediction, molecular dynamics, free-energy perturbations, structural chemogenomics, machine learning, AI, cheminformatics, bioinformatics, data management
Preferred skills
teaching undergraduate students, motivating colleagues
Technologies
protein-structure prediction tools, molecular dynamics software, free-energy perturbation methods, structural chemogenomics platforms, machine learning frameworks, AI models
Responsibilities
Develop and apply CADD methodologies to advance drug discovery projects; Improve molecular understanding of ligand-protein interactions; Translate molecular understanding into structure-activity and structure-kinetics relationships; Guide ongoing drug synthesis and biological screening activities; Collaborate with colleagues performing synthesis and screening; Communicate results effectively and motivate/teach colleagues and undergraduate students
Seniority
Post-doc, hands-on IC with research leadership