Postdoc: Computational Drug Discovery for Candidalysin Inhibitors

King's College London; Greater London; Presencial; GBP 45.000 - 47.000; Jornada completa

Descripción de la vacante

King's College London is seeking a Postdoctoral Researcher to lead the computational chemistry work in a multidisciplinary drug-discovery programme targeting candidalysin. You will design peptide and peptidomimetic inhibitors, perform docking and MD simulations, and integrate predictions with biophysical data to refine models.

The role involves collaboration with a synthetic chemist and Prof. Julian Naglik’s team, with a 35-hour week and a fixed-term contract to 31/12/2027.

Formación

• PhD in Computational Chemistry, Medicinal Chemistry, Chemical Biology or closely related field.
• Experience in computational medicinal chemistry and design of bioactive molecules.
• Expertise in molecular modelling, docking and dynamics with protein/peptide–ligand interactions.
• Experience in design and evaluation of peptides, peptidomimetics and/or small molecules.
• Proficiency with Schrödinger Suite, AutoDock Vina, Discovery Studio or equivalents.
• Ability to integrate computational and experimental data to guide design.

Responsabilidades

• Lead the computational chemistry component of a multidisciplinary programme.
• Design and optimise peptide and peptidomimetic inhibitors and perform virtual screening.
• Analyse structure–activity relationships to rationalise inhibitor activity.
• Collaborate with synthetic chemists and experimental teams to prioritise compounds.

Conocimientos

Computational chemistry

Molecular modelling

Molecular docking

Molecular dynamics

Structure-based design

Biophysical data integration

Teamwork & communication

Educación

PhD in Computational Chemistry or related

Herramientas

Schrödinger Suite

AutoDock Vina

BIOVIA Discovery Studio

Descripción del empleo

King's College London is seeking a Postdoctoral Researcher to lead the computational chemistry work in a multidisciplinary drug-discovery programme targeting candidalysin. You will design peptide and peptidomimetic inhibitors, perform docking and MD simulations, and integrate predictions with biophysical data to refine models.

The role involves collaboration with a synthetic chemist and Prof. Julian Naglik’s team, with a 35-hour week and a fixed-term contract to 31/12/2027.