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Slides from the 2025 Conscience Symposium on Open Drug Discovery

Slides and Posters from our 2024 CACHE Symposium

Conscience Symposium on Open Drug Discovery – April 7-8, 2025

The link below contains a playlist of all the recordings from the symposium. Click the playlist button in the top righthand corner of the video to navigate through the different sessions.

Developing Medicines through Open Science – Information Session

CACHE Challenge 2 Participant Spotlight Webinar

Gravitate-Health Canadian Ecosystem Webinar (Conscience co-Organized)

Articles, preprints, and abstracts from CACHE Challenge Participants

In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations

Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2

In silico fragment-based discovery of CIB1-directed anti-tumor agents by FRASE-bot

The First CACHE Challenge – Testing Diverse Virtual Screening Scoring Methods to Identify Potential LRRK2 Binders

High-throughput binding free energy simulations: Applications in drug discovery

Protein Structure-Based Organic Chemistry-Driven Ligand Design from Ultralarge Chemical Spaces

Integration of Deep Docking into Virtual Screening Workflow. The CACHE-1 Study Case

Computational Approaches in Drug Design (thesis)

CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein (CACHE #1 Summary Paper)

Software developed by CACHE participants

CACHE Challenge 1 – LRRK2 WDR Domain

Koes Lab – University of Pittsburgh

• GNINA – Deep learning for molecular docking
• PharmIt – Interactive exploration of chemical space

Gorgulla Lab – Harvard University & St. Jude Children’s Research Hospital

• VirtualFlow (github and webpage) – Discovering novel drug candidates by virtually screening chemical space on scales not possible before.

Isayev Lab – Carnegie Mellon University

• OpenChem (github and paper) – PyTorch-based deep learning toolkit for computational chemistry and drug design

Kireev Lab – University of Missouri

• FRASE-bot-RDKit (github and paper) – a collection of cheminformatics protocols designed for data processing on FRASE screening, developed in Python with RDKit.