Biophysical Society Thematic Meeting | Trieste 2024

Emerging Theoretical Approaches to Complement Single-Particle Cryo-EM

Tuesday Speaker Abstracts

ICE-CREAM: INTEGRATED CYBERINFRASTRUCTURE FOR ENSEMBLE CRYO EM APPLICATIONS & MODELING Abhishek Singharoy ; 1 Arizona State University, Biodesign Institute, Tempe, AZ, USA Integrative modeling is an area of rapid methodological developments, wherein, atom-resolved structures of biological systems are determined by merging data from multiple experimental sources with physics and informatics-based approaches. These elegant fitting, learning and inferencing methodologies have been successful in resolving a range of structures, starting with soluble and membrane proteins up to sub-cellular complex architectures. The integrative models routinely make it to top positions at the CASP, EMDB and PDB competitions, serving a diverse cross-section of the Biophysics community. Yet, the dearth of cyberinfrastructure renders these modeling tools unresponsive to parallelization and scale necessary to model longer timescales and larger multi-domain structures. We are designing and implementing the Integrated Cyberinfrastructure for Ensemble CRyo-Em Applications & Modeling (ICE-CREAM) to support a wide range of temporal duration representing the uneven data resolutions that underpin the multi-model picture of cryo-EM density. This implementation will break free of the traditional high-performance computing execution model that assumes singular jobs and static execution of tasks and data, to one that is fundamentally designed for data-integration and assimilation across different scales, quality and sparsity.

UNDERSTANDING THE MOLECULAR MECHANISM OF GENOME EDITORS TO ENHANCE THEIR PRECISION AND TARGETING SCOPE

Audrone Lapinaite 1 ; 1 Arizonia State University, Tempe, Arizona, USA No Abstract

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