University Academic Profile

Core Year 2 specialization pathways at the University of Surrey:

Neuroscience
Biochemistry

Research & Projects

Independent computational workflows and laboratory data analysis:

p53 & PRIMA-1 Molecular Docking

Bioinformatics

A virtual screening pipeline investigating ligand-protein binding interactions. This project models the docking conformations and binding affinities of PRIMA-1 against target receptors like 1TUP using PyRx and AutoDock Vina layouts.

View Project Scope →

Virtual Screening Protocol

Methodology
  1. Load Molecules: Prepare and import PDBQT ligand and macromolecule target structural files.
  2. Search Space: Define bounding box grids around receptor active binding coordinates.
  3. Execute Vina: Run docking calculations to compute relative binding affinities (kcal/mol).