Rory Whelan

PhD candidate with an expertise in Computer-Aided Drug Design (CADD) that has applied these skills to identify novel and active small molecules for a desired biological activity. My skills in CADD include but are not limited to Bioinformatics, Cheminformatics, Molecular Docking, Molecular Dynamics (GROMACS) and Homology Modeling (I-TASSER/RoseTTAFold). In addition to my computational skills, I have experience in recombinant protein expression and peptide synthesis and have an in-depth knowledge of protein biochemistry.

The skills and network I acquired during my PhD studies enabled me to consult for a pharmaceutical company where I worked on the development of novel derivatives of a GPCR agonist to treat a neuropsychological disorder.

Drug Design Consultant | (Undisclosed Company) NDA signed

March to November 2022

• Provided consultation support using Computer-Aided Drug Design (CADD) to guide a startup company in acquiring enterprise funding for the development of a novel 5-HT2A agonist for application in treating a neuropsychological disorder.

Adjunct Assistant Lecturer | Technological University Dublin, Ireland

September 2018 to February 2023

• Introduced, guided & supervised undergraduate organic chemistry lab practicals
• Ensured student health and safety adherence during laboratory practicals
• Corrected and graded lab reports

Lab Demonstrator | Dublin Institute of Technology, Ireland

September 2017 to September 2018

ERASMUS Researcher | University Regensburg, Germany

February to August 2015

PhD in Computational Chemical Biology | TUD (Viva Pending)

• Awardee, IRC Scholarship
• 1 Scientific Publication, 1 News article, 1 Research Conference
• Thesis: New Agents for Modulating the Blood-Brain Barrier

MSc in Synthetic Chemistry | UCD Class of 2017

• Thesis Topic: Total Synthesis of (-)-Hydrachine A

BSc in Medicinal Chemistry | DIT Class of 2012

• First Class Honours
• 2 Scientific Publications