PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
PLAS-20k:用于机器学习应用的基于分子动力学模拟的蛋白质-配体亲和力扩展数据集
期刊:Scientific Data
影响因子:6.9
doi:10.1038/s41597-023-02872-y
Korlepara, Divya B; C S, Vasavi; Srivastava, Rakesh; Pal, Pradeep Kumar; Raza, Saalim H; Kumar, Vishal; Pandit, Shivam; Nair, Aathira G; Pandey, Sanjana; Sharma, Shubham; Jeurkar, Shruti; Thakran, Kavita; Jaglan, Reena; Verma, Shivangi; Ramachandran, Indhu; Chatterjee, Prathit; Nayar, Divya; Priyakumar, U Deva