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protein dynamics

5 papers

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Co-occurring keywords · papers mentioning both

molecular dynamics (4) conformational dynamics (1) node pooling (1) multibody dynamics (1) graph neural network (1) signature transform (1) surface representation (1) reversible dynamics (1) conformational change (1) zero-level set (1)

Papers

Deep Signature: Characterization of Large-Scale Molecular Dynamics ICLR 2025 Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows ICLR 2025 DSR: Dynamical Surface Representation as Implicit Neural Networks for Protein NeurIPS 2023 Equivariant Graph Hierarchy-Based Neural Networks NeurIPS 2022 Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models ICML 2014