Tuesday, February 26
Computational Tools and Precision Medicine
9:45 AM - 11:25 AM
Precision Medicine challenges High Performance Computing (HPC). Challenges include analyzing large amounts of data that is instrumental in guiding precision medicine initiatives using rich computational resources. Precision Medicine also inspires HPC as the large computing resources can facilitating the acceleration of critical discoveries thus providing valuable insights and solutions. This symposium will highlight some of the on-going research, challenges and suitable solutions. The coordination of data generation and analysis cannot rely on manual, centralized approaches as it is predominately done today. One of the talks in this symposium will discuss combinations of machine learning and data analytics approach along with HPC techniques that can transition the runtime analysis of larger and larger MD trajectories towards the exascale era via in situ data analytics. The second talk will discuss advance computing capabilities, collaborations, and solutions for cancer. The third talk will share challenges for analysis and visualization of atomic-detail simulation of minimal cells on large-scale computing platforms and how such findings can create new opportunities for the study of the structure and function of large biomolecular complexes. The fourth talk will present knowledge gained by accelerating the prediction of the evaluation of large protein conformational ensembles that can lead to improved strategies for drug discovery.
Organizer: Sunita Chandrasekaran
University of Delaware, U.S.
- 9:45-10:05 Acceleration of Prediction of Chemical Shift Structures abstract
- Sunita Chandrasekaran and Juan Perilla, University of Delaware, U.S.
- 10:10-10:30 In Situ Data Analytics for Next Generation Molecular Dynamics Workflows abstract
- Michela Taufer, University of Tennessee, U.S.
- 10:35-10:55 Challenges for Analysis and Visualization of Atomic-detail Simulations of Minimal Cells abstract
- John E. Stone, University of Illinois at Urbana-Champaign, U.S.
- 11:00-11:20 Capabilities, Collaboration and Cancer: Co-design for Advanced Computing Solutions for Cancer abstract
- Eric Stahlberg, National Cancer Institute, U.S.; George Zaki, Frederick National Lab for Cancer Research, U.S.
More information: http://meetings.siam.org/sess/dsp_programsess.cfm?SESSIONCODE=65716