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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(2)

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C. V. Jawahar

2 results in Authors: C. V. Jawahar

Theoretical and Computational Chemistry

Machine Learning for Accurate Force Calculations in Molecular Dynamics Simulations

Punyaslok Pattnaik, Shampa Raghunathan, Tarun Kalluri, Prabhakar Bhimalapuram, C. V. Jawahar, U. Deva Priyakumar

Version 1 posted 08 May 2020

1,171

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Theoretical and Computational Chemistry

DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks

Rishal Aggarwal, Akash Gupta, Vineeth Chelur, C. V. Jawahar, U. Deva Priyakumar

Version 2 posted 15 July 2021

2,181

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