Irina Tikhonova

Company: Queen’s University Belfast

Job title: Reader in Molecular Modelling

Seminars:

Leveraging Molecular Dynamics, Fragment-based Drug Discovery & Docking Simulations to Study Allosteric Ligand Binding 3:00 pm

How to leverage in silico models to predict and model ligand-receptor interactions? What is the workflow for preforming fragment-based drug discovery when mapping allosteric sites? What insight can we learn from MD simulations on cryoEM structures?Read more

day: Pre-Conference Focus Day

Addressing Current Challenges in Virtual Screening to Enhance its Accessibility & Utility in GPCR Pipelines 11:00 am

How to begin integrating advanced computing into your screening workflow? What are the propriety data packages and software for leading computer-driven discovery? Is there utility in the ultra-large scale screening of drug-like compounds or should we be more selective? Read more

day: Pre-Conference Focus Day