Multi-Modal Molecular Dynamics: Research Planning and Strategic Directions
Date:
Strategic planning session on multi-modal approaches to studying molecular dynamics and cellular behavior. Discussed integration of multiple data modalities including: structural biology (X-ray, cryo-EM), molecular dynamics simulations, experimental measurements (NMR, spectroscopy), and high-throughput screening data. Outlined research directions for developing unified frameworks that bridge time scales from femtoseconds (bond vibrations) to hours (cellular processes). Proposed combining physics-based molecular mechanics with data-driven deep learning models. Defined collaboration strategy with experimental groups, computational resource allocation, and publication roadmap. Emphasized applications in understanding drug-target interactions, protein conformational changes, and allosteric regulation mechanisms.