1. ATOM Accelerating Therapeutics for Opportunities in Medicine
November 2017

2. ATOM Consortium Mission Vision How? 3 year goal
Accelerating Therapeutics for Opportunities in Medicine
Mission
To accelerate the development of more effective therapies for patients
High-performance computing
Vision
How?
Diverse biological data
Emerging biotech capabilities
A new starting point:
Transform drug discovery from a slow, sequential, and high-failure process into a rapid, integrated, and patient-centric model
Integrated
precompetitive
platform
Mission (purpose, why we exist):
To accelerate the discovery of more effective medicines for patients
Vision (where we want to be in the future):
We aim to create an open and sharable platform that transforms drug discovery from a slow, sequential and iterative process into a rapid, integrated and patient-centric process that produces more effective therapies
Strategies (how?)
Integrate high-performance computing, diverse biological data, and emerging biotechnology capabilities to create a new pre-competitive platform for drug discovery.
3-5 year Goal:
Starting from a validated oncology target, deliver a patient-ready cancer therapy in <1 year, a process that currently takes an average of 6 years.
Ambition:
integrate historic data learning sets,
use high performance computing to create first generation models,
implement high content closed loop/semi-closed loop chemistry and biology and human relevant models of disease (cancer) to improve the models
with a goal to create patient specific medicines within one year of patient presenting an untreatable/poorly treatable disease.
From target to patient-ready in <1 year
1 year
3 year goal

3. A new model for collaborative, cross-disciplinary work
Harnessing frontier technologies
Super-computing
Data and analytics
Machine learning
Computational technologies
Multi-scale modeling
Protein models
Cell and tumor models
Patient models
Automated platforms
Tumor organoids
Single cell biology
Experimental technologies

4. Navigating the molecular recognition-interaction space
Active learning
What’s the next experiment?
What’s the next simulation?
Initialize designs
Virtual screen
Rational design
Synthesize compounds
Biological assays
Outside databases
Literature
Data and model lake development and operations
Mechanistic simulation
Open computing and tool ecosystem
Project execution

5. Integrated ATOM work streams
How staff at ATOM will work together to solve key questions for the workflow
Data management & computing infrastructure
Computational models
Discovery & translational assays
How should we secure, store, access, and share our data and models?
Can we develop mechanistic and data-driven models that are predictive of human biology?
Can we efficiently run human-relevant assays in parallel that will better inform our models?
Molecular design & synthesis
Active machine learning
Quantitative pharmacology
Can we develop algorithms for chemical synthesis to execute through an automated
platform?
What are the key experiments or data that we need to refine our models?
Can we develop patient-specific models to predict on- and off-target effects in real-time?

6. NCI/Fredrick National Laboratories Fellowships
2 Postdoc positions, FNL employees (1-2 yrs)
Research project within ATOM focusing on at least one of the workstreams
Computational scientists participate in empirical work and vice versa
Exposure to drug discovery from start to IND/regulatory filings
An ideal candidate has
A strong background in Computational Biology, Chemistry, Cancer, High- performance computing
An interest in team science across scientific disciplines and building a skill set outside of their primary discipline
An existing or planned research relationship with a USCF Faculty member interested in ATOM
Flexibility to start ca 2nd quarter of 2018

7. GSK ATOM Consortium Postdoctoral Fellowships
Postdoctoral Researcher in Computational Chemistry & Drug Postdoctoral Researcher in Quantitative Pharmacology Postdoctoral Researcher in Computational ADME/Toxicology Postdoctoral Researcher in Pathway, Cell and Tumor Modeling