PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
Divya B Kolepara, Shubham Sharma, Shruti S Jeurkar, Kavita Thakran, Reena Jaglan, Shivangi Verma, Deva Priyakumar U, C. S. Vasavi1, Rakesh Srivastava, Pradeep Kumar Pal, Saalim H. Raza, Vishal Kumar, Shivam Pandit, Aathira G Nair, Sanjana Pandey
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@inproceedings{bib_PLAS_2023, AUTHOR = {Divya B Kolepara, Shubham Sharma, Shruti S Jeurkar, Kavita Thakran, Reena Jaglan, Shivangi Verma, Deva Priyakumar U, C. S. Vasavi1, Rakesh Srivastava, Pradeep Kumar Pal, Saalim H. Raza, Vishal Kumar, Shivam Pandit, Aathira G Nair, Sanjana Pandey}, TITLE = {PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications}, BOOKTITLE = {Chem arxiv}. YEAR = {2023}}