conftrace_

ligand binding

3 papers

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Co-occurring keywords · papers mentioning both

hierarchical context encoder (1) protein pocket generation (1) protein-ligand interaction (1) protein pocket design (1) sidechain atom (1) physical validity (1) pocket prediction (1) blind docking (1) structure refinement (1) binding affinity (1)

Papers

DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking NeurIPS 2024 Generalized Protein Pocket Generation with Prior-Informed Flow Matching NeurIPS 2024 Full-Atom Protein Pocket Design via Iterative Refinement NeurIPS 2023