Topics of interest focus on adaptations and applications of methods inspired by robotics and AI to characterize biomolecular structure, motion, dynamics, complexation, and aggregation. Topics include (but are not limited to):

• Modeling equilibrium structural states
• Modeling structural fluctuations and large-scale motions
• Predicting thermodynamics and kinetics properties
• Simulating protein and RNA folding
• Reconstructing molecular energy landscapes
• Modeling molecular docking and aggregation
• Simulating ligand diffusion
• Interactive haptic-based molecular simulations
• Computational and theoretical methods for biomolecular structure determination