Jaemin's Research Notes

protein-ligand

9 items with this tag.

  • Sep 22, 2026

    LDDM — A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design

    • papers
    • sbdd
    • structure-based-modeling
    • molecular-generation
    • docking
    • fragment-design
    • flow-matching
    • synthesizable-design
    • protein-ligand
  • Sep 17, 2026

    Ensemble-Conditioned Molecular Design — Composable Multi-State 3D Molecular Generation

    • papers
    • generative-models
    • flow-matching
    • molecular-generation
    • conditional-generation
    • structure-based-modeling
    • protein-ligand
    • conformational-ensemble
  • Sep 12, 2026

    NEAT-POCKET — Pocket-Conditioned Autoregressive 3D Molecular Generation with a Neighborhood-Guided Set Transformer

    • papers
    • sbdd
    • structure-based-modeling
    • molecular-generation
    • autoregressive
    • flow-matching
    • set-transformer
    • protein-ligand
    • fragment-completion
  • Jun 30, 2026

    Protein-Ligand Interaction

    • sbdd
    • protein-ligand
    • molecular-modeling
  • Jun 29, 2026

    Protein-ligand Representation Contract

    • molecular-modeling
    • representation
    • protein-ligand
  • Jun 28, 2026

    Protein-Ligand Docking

    • docking
    • structure-based-drug-discovery
    • protein-ligand
  • Jun 26, 2026

    Interaction Fingerprint

    • sbdd
    • molecular-modeling
    • protein-ligand
  • Jun 26, 2026

    Interaction Prediction

    • tasks
    • protein-ligand
    • molecular-modeling
  • Jun 26, 2026

    Protein-Ligand Complex

    • entities
    • protein-ligand
    • docking

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