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Blind Docking
태스크의 하위 분류와 논문·코드·평가·기법·데이터셋을 탐색하세요.
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논문
이 태스크와 하위 분야의 관련 논문입니다. 실제 성능 비교는 평가 결과에서 확인하세요.
PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking
SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation
Fast and Accurate Blind Flexible Docking
Accurate Pocket Identification for Binding-Site-Agnostic Docking
Group Ligands Docking to Protein Pockets
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction
GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking
GeoDirDock: Guiding Docking Along Geodesic Paths
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
Deep Confident Steps to New Pockets: Strategies for Docking Generalization
Quantum-Inspired Machine Learning for Molecular Docking
Multi-scale Iterative Refinement towards Robust and Versatile Molecular Docking
FABind: Fast and Accurate Protein-Ligand Binding
DSDP: A Blind Docking Strategy Accelerated by GPUs
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
출처: Papers with Code · CC BY-SA 4.0. 아카이브 자료와 새로 수집한 논문은 별도로 관리합니다.