OUR TEAM

Computational Drug Discovery · University of Edinburgh

01

Principal Investigator

Douglas R. Houston

Douglas R. Houston, Ph.D.

Senior Lecturer in Computational BiochemistryUniversity of Edinburgh

Background

2016 – PresentSenior Lecturer in Computational Biochemistry, University of Edinburgh
2011 – 2016Lecturer in Computational Biochemistry, University of Edinburgh
2009 – 2011Scientific Program Coordinator, University of Edinburgh
2009Postdoctoral Fellow, University of Edinburgh
2005 – 2008Postdoctoral Fellow, McGill University, Montreal
2001 – 2005PhD Student, University of Dundee
2001 – 2004CASE Researcher, Cyclacel Pharmaceuticals Inc., Dundee

Qualifications

  • Senior Fellow of the Higher Education Academy
  • PhD Biochemistry (X-Ray Crystallography, Inhibitor Studies, Essential Dynamics, Virtual Screening), Dundee University
  • BSc (Hons) Biochemistry, University of Edinburgh
02

Ph.D. Students

03
Haoying (Rex) Wang

Haoying (Rex) Wang

MRes. Biomedical Science, University of GlasgowMSc. Bioinformatics, University of Edinburgh

  • Neural Network
  • Drug Discovery Maps
  • Distance-Based Pocket Signatures
Lin (Lyn) Chen

Lin (Lyn) Chen

MEng. Computer Systems Technology, Huzhou University

  • In-silico Lead Discovery
  • Structure-based Virtual Screening (SBVS)
  • Model Reasonability Quantification
Boyang Ni

Boyang Ni

MSc. Drug Discovery and Translational Biology, University of Edinburgh

  • Ligand-based Virtual Screening (LBVS)
  • Molecular Similarity
  • Molecular Descriptors
  • Molecular Clustering
03

MSc. Students

03
Aarya Vashishth

Aarya Vashishth

MSc. Bioinformatics, University of Edinburgh

  • Computer-Aided Drug Discovery
  • Molecular Dynamics
  • Virtual Screening
  • Neurodegenerative Disease
  • TDP-43 Inhibition
  • Undruggable Targets
Connor Aylesworth

Connor Aylesworth

BSc. Molecular and Biomedical Sciences, University of MaineMSc. Bioinformatics, University of Edinburgh

  • Biological Webpage & Database Design
  • Viral Genomics
  • Microbiome Analysis
Indu Sankya

Indu Sankya

B.Sc. Life SciencesIncoming MSc. Biomedical Science

  • Computational Biochemistry
  • Bioinformatics
  • Molecular Docking
  • Drug Discovery
  • Cancer Biology
  • Structural Biology
  • Molecular Dynamics Simulations
04

Undergraduate Researchers

01
Ibrahim Ayvazov

Ibrahim Ayvazov

BSc. Biological Sciences (Biochemistry), University of EdinburghCurrent undergraduate

  • Computational Drug Discovery
  • Cheminformatics
  • Molecular Conformer Generation
  • Virtual Screening
  • GPU Computing
  • Machine Learning

I am an undergraduate Biochemistry student at the University of Edinburgh with an interest in applying machine learning to protein design and computational biology. My current work focuses on building pipelines that generate large 3D compound libraries for early-stage drug discovery using GPU-based workflows.

05

Collaborators

01
Vincent Blay

Vincent Blay, Ph.D.

Collaborator

  • Artificial Intelligence
  • Molecular Design
  • Biologics
  • Disordered Proteins