Computational simulations let researchers watch biological molecules move at atomic resolution, test “what-if” hypotheses in silico, and connect theory with experiment. When combined with modern AI, these simulations run faster, explore rare conformational states more efficiently, and reveal patterns that are hard to detect with traditional methods. This synergy is increasingly pivotal for brain health research, where protein misfolding, ion-channel behavior, and complex biomolecular interactions shape disease mechanisms and therapeutic strategies.

This event explores these advances with concise, application-led sessions that show how AI can guide ligand discovery for difficult targets and accelerate conformational sampling in Molecular Dynamics. We will emphasize practical workflow design (data curation, model choice, validation, and uncertainty), routes for translating simulation outputs into experiments and clinical insight, and opportunities for collaboration and future projects

 

Date: October 7, 2025
Venue: American International University (AIU), Kuwait
Audience & Participation: Undergraduate students, faculty and invited researchers.

Speakers
Prof Michele Vendruscolo (University of Cambridge)
Dr Abdullah Al-Ozairi (Kuwait University)
Mr Hussein Murtada (University of Cambridge)
Dr Amir Irani (American International University – Kuwait)
Dr Maryam Khan (American International University – Kuwait)

Organizer
Dr Amir Irani (American International University – Kuwait)