Showing 1 - 2 results of 2 for search 'Agastya P. Bhati', query time: 0.02s Refine Results
  1. 1
    The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase

    The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase by Shunzhou Wan, Agastya P. Bhati, David W. Wright, Alexander D. Wade, Gary Tresadern, Herman van Vlijmen, Peter V. Coveney

    Published 2022-06-01
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  2. 2
    PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications

    PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications by Divya B. Korlepara, C. S. Vasavi, Shruti Jeurkar, Pradeep Kumar Pal, Subhajit Roy, Sarvesh Mehta, Shubham Sharma, Vishal Kumar, Charuvaka Muvva, Bhuvanesh Sridharan, Akshit Garg, Rohit Modee, Agastya P. Bhati, Divya Nayar, U. Deva Priyakumar

    Published 2022-09-01
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