ATOM-IDG Symposium Series

October 26th - October 27th, 2020
Virtual

 

Monday, October 26th, 2020 (8 AM -11 AM PT / 11 AM – 2 PM ET)

8:00 – 9:00 AM PT / 11:00 AM – 12:00 PM ET. Session 1: ATOM and IDG overview

  • Welcome and introduction to Symposium series. (10 min)
    Larry Sklar, PhD and Michelle Arkin, PhD
  • Introduction to the ATOM consortium. (20 min)
    Eric Stahlberg, PhD, FNLCR and Marti Head, PhD, ORNL from ATOM consortium
  • Introduction to Illuminating the Druggable Genome (IDG) consortium. (20 min)
    Larry Sklar, PhD, UNM from RDOC
  • Panel Discussion (10 min)

 

9:00 – 9:50 AM PT / 12:00 – 12:50 PM ET. Session 2: Informatics Pipeline Platforms

  • AMPL: an open access compound modelling pipeline. (15 min)
    Jonathan Allen, PhD, LLNL from ATOM consortium
  • Knowledge Management Center for Illuminating the Druggable Genome. (15 min)
    Tudor Oprea, MD, PhD, UNM from KMC
  • Panel Discussion (20 min)

 

9:50 – 10:00 AM PT / 12:50 – 1:00 PM ET. Break (10 min)

10:00 AM – 11:00 AM / 1:00 – 2:00 PM ET. Session 3: Predictive Modeling

  • Integrative modeling at ATOM: From Physiologically-Based Pharmacokinetics (PBPK) to Generative Molecular Design (GMD). (20 min)
    Ben Madej, PhD, FNLCR from ATOM consortium
  • Large Scale Docking reveals selective nM ligands for the Sigma2 Receptor. (20 min)
    Jiankun Lyu, PhD, UCSF from DRGC-GPCR
  • Panel Discussion (15 min)
 

 

Tuesday, October 27th, 2020 (8 AM -11 AM PT / 11 AM – 2 PM ET)

8:00 – 8:40 AM PT / 11:00 AM – 11:40 PM ET. Session 4: Oncology/Kinase

  • Multiparameter optimization of Aurora kinase inhibitors: lessons learned (20 min)
    Kevin McLoughlin, PhD, LLNL from ATOM consortium
  • Understudied kinases in oncology (20 min)
    Shawn Gomez, PhD, UNC from DRGC-Kinase

 

8:40 – 9:55 AM PT / 11:40 – 12:55PM ET. Session 5: Probe/Target Pitches on Kinases

  • Opportunities for Small Molecule Drug Discovery within the Neural Kinome. (10 min)
    Alison Axtman, PhD, SGC-UNC from DRGC-Kinase
  • Dark pseudokinases as druggable targets. (10 min)
    Natarajan Kannan, PhD, UGA from CEIT-UGA
  • Substrate and inhibitor interactions with tousled-like kinase. (10 min)
    Benjamin Turk, PhD and David Calderwood, PhD, Yale from Round 1 R03
  • Defining the physical neighborhood of understudied kinases. (10 min)
    Dhaval Bhatt, PhD, WUSTL from DRGC-Kinase
  • Tools For The Understudied Kinase PNK3. (10 min)
    Jarrod Marto, PhD, Dana-Farber Cancer Institute from Round 1 R03
  • Panel Discussion on kinases (25 min)

 

9:55 – 10:05 AM PT / 12:55 – 1:05 PM ET. Break (10 min)

10:05 – 10:50 AM PT / 1:05 – 1:50 PM ET. Session 6: Probe/Target Pitches on other targets

  • Ion Channel Screening – Silent K+. (10 min)
    David Weaver, PhD, Vanderbilt from DRGC-Ion Channel
  • Loss of Clcc1, an ER chloride channel, causes diabetes in mice and (maybe) in...
    Gregory Ku, MD, PhD, UCSF from Round 2 R03
  • Profiling dark GPCRs with high-throughput CRISPR technologies: new insights on understudied targets HCAR3, GPR4, GPR65, and GPR68. (10 min)
    Daniel Isom, PhD, U of Miami from Round 2 R03
  • Panel Discussion on other targets (15 min)

 

10:50 – 11:00 AM PT / 1:50 – 2:00 PM ET. Summary Discussion

  • Summary Discussion: Michelle Arkin, PhD and Larry Sklar, PhD (10 min)