Subgroup Chair: Sarah Harris, University of Leeds, UK

Symposium Time:  1:30 PM – 5:30 PM PST

Symposium Room:  Room 209/210/211  

Business Meeting:  5:00-5:30 PM PST

1:30 PM Opening Remarks

 

1:35 PM Alexander Pak, Institute of Science  and Technology Austria (ISTA), AUSTRIA
Strategies to Perturb Protein Assemblies from a Coarse-Grained Molecular Dynamics Perspective

 

2:05 PM Sirish Kaushik Lakkaraju, Bristol Myers Squibb, USA
MDFit: Using Machine-Learning to Predict Ligand Potency from Molecular Simulations

 

2:35 PM Karissa Sanbonmatu, Los Alamos National Lab, USA
TBA

 

3:05 PM Break

 

3:20 PM Student/Postdoc Flash Talks: TBA

 

3:35 PM Sergio Cruz-Leon, Max-Planck-Gesellschaft, GERMANY
Postdoc Award Talk: Bridging in situ CryoET and Multi-Scale Simulations for Biological Discovery

 

4:00 PM Rafael Bernardi, Auburn University, USA

Early Career Award Talk: Where Biology Meets Chemistry: Harnessing Computation to Reveal Life’s Strongest Bonds

 

4:25 PM Margaret Johnson, John Hopkins University, USA
Mid-Career Award Talk: Timing and Decision Making Through Macromolecular Self-Assembly

 

4:55 PM Closing Remarks

 

5:00 PM Business Meeting