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  "access_rights": "",
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  "author": "Xinze Li",
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  "author": "Xinze Li",
            
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  "defined_in": "https://doi.org/10.48550/arXiv.2404.02003",
            
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  "doi": "10.57702/p8fohpjv",
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  "doi": "10.57702/p8fohpjv",
            
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  "doi_date_published": null,
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  "doi_date_published": "2024-12-02",
            
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  "extra_authors": [
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  "extra_authors": [
            
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    {
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    {
            
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      "extra_author": "Penglei Wang",
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      "extra_author": "Penglei Wang",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    {
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    {
            
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      "extra_author": "Tianfan Fu",
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      "extra_author": "Tianfan Fu",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    },
            
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    {
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    {
            
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      "extra_author": "Wenhao Gao",
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      "extra_author": "Wenhao Gao",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    },
            
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    {
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      "extra_author": "Chengtao Li",
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      "extra_author": "Chengtao Li",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    },
            
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    {
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    {
            
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      "extra_author": "Leilei Shi",
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      "extra_author": "Leilei Shi",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    },
            
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    {
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    {
            
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      "extra_author": "Junhong Liu",
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      "extra_author": "Junhong Liu",
            
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      "orcid": ""
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      "orcid": ""
            
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    }
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      "description": "",
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      "description": "",
            
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      "display_name": "Structure-based drug design",
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      "display_name": "Structure-based drug design",
            
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      "name": "structure-based-drug-design",
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      "name": "structure-based-drug-design",
            
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      "title": "Structure-based drug design"
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      "title": "Structure-based drug design"
            
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    }
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  "name": 
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  "name": 
            
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f--autoregressive-diffusion-modeling-for-structure-based-drug-design",
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f--autoregressive-diffusion-modeling-for-structure-based-drug-design",
            
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  "notes": "Structure-based drug design (SBDD), which aims to generate 
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  "notes": "Structure-based drug design (SBDD), which aims to generate 
            
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molecules that can bind tightly to the target protein, is an essential 
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molecules that can bind tightly to the target protein, is an essential 
            
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problem in drug discovery, and previous approaches have achieved 
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problem in drug discovery, and previous approaches have achieved 
            
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initial success. However, most existing methods still suffer from 
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initial success. However, most existing methods still suffer from 
            
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invalid local structure or unrealistic conformation issues, which are 
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invalid local structure or unrealistic conformation issues, which are 
            
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mainly due to the poor learning of bond angles or torsional angles.",
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mainly due to the poor learning of bond angles or torsional angles.",
            
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      "display_name": "protein-ligand complex",
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      "display_name": "protein-ligand complex",
            
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      "id": "0b2d4490-9650-4545-9925-fd9cf64210ee",
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      "id": "0b2d4490-9650-4545-9925-fd9cf64210ee",
            
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      "name": "protein-ligand complex",
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  ],
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  "title": "AUTODIFF: Autoregressive Diffusion Modeling for 
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  "title": "AUTODIFF: Autoregressive Diffusion Modeling for 
            
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Structure-based Drug Design",
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Structure-based Drug Design",
            
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  "type": "dataset",
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  "version": ""
            
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}
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}