Postdoctoral Researcher in Computational Chemistry and Drug Discovery – Dr. Alberto Ocaña Lab, Madrid

Dr. Alberto Ocaña Lab is hiring a Postdoctoral Researcher in Computational Chemistry and Drug Discovery in Madrid, Spain. Qualification: PhD in computational chemistry, computational biophysics, medicinal chemistry, structural bioinformatics or a related discipline.

Job Details

Organization: Dr. Alberto Ocaña Lab, CRIS Cancer Experimental Therapeutics Unit, Hospital Clínico San Carlos / START Madrid

Position: Postdoctoral Researcher – Computational Chemistry and Drug Discovery

Location: Madrid, Spain

Qualification: PhD in computational chemistry, computational biophysics, medicinal chemistry, structural bioinformatics or a related discipline

Job Description

Role: combine physics-based simulations and AI to identify binding sites, characterise molecular interactions and guide design and optimisation of novel therapeutic compounds, working closely with experimental biologists.

Required Skills

  • Protein structure analysis and modelling (AlphaFold, Boltz-2)
  • Molecular dynamics
  • Docking and virtual screening
  • Binding-pocket identification and druggability
  • Energy calculations (MM/GBSA, MM/PBSA, FEP or TI)
  • Pharmacophore modelling
  • Medicinal chemistry (SAR, scaffolds, bioisosteres, ADME)
  • Python, Linux and HPC

How to Apply

Contact [email protected] or [email protected].

CLICK HERE FOR THE ORIGINAL NOTIFICATION / APPLY ONLINE

Applications can be sent to the contacts listed under How to Apply.