Jaemin's Research Notes

docking

14 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 08, 2026

    AdaptiveFlow — AI-enhanced adaptive virtual screening of large libraries for ligand discovery

    • papers
    • sbdd
    • structure-based-modeling
    • virtual-screening
    • docking
    • active-learning
    • chemical-space
    • hpc
  • Jun 30, 2026

    Pose Generation

    • sbdd
    • docking
    • generative-models
  • Jun 28, 2026

    Protein-Ligand Docking

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

    Docking Workflow

    • sbdd
    • docking
    • workflow
  • Jun 26, 2026

    Receptor and Ligand Preparation

    • sbdd
    • docking
    • data-preprocessing
  • Jun 26, 2026

    Pose Quality

    • sbdd
    • docking
    • evaluation
  • Jun 26, 2026

    Virtual Screening

    • sbdd
    • docking
    • drug-discovery
  • Jun 26, 2026

    Binding Affinity

    • sbdd
    • docking
    • evaluation
  • Jun 26, 2026

    Scoring Function

    • docking
    • scoring
    • modeling
  • Jun 26, 2026

    Protein-Ligand Complex

    • entities
    • protein-ligand
    • docking
  • Jun 26, 2026

    PoseBusters

    • papers
    • docking
    • evaluation
  • Jun 26, 2026

    Pose RMSD

    • sbdd
    • docking
    • evaluation
  • Jun 25, 2026

    구조 기반 모델링을 어떻게 정리할 것인가

    • posts
    • structure-based-modeling
    • docking

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