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4 results in Authors: Neeraj Kumar

Biological and Medicinal Chemistry

MOLECULAR DOCKING STUDY TO IDENTIFY POTENTIAL INHIBITOR OF COVID-19 MAIN PROTEASE ENZYME: AN IN-SILICO APPROACH

Anurag Agrawal, Nem Kumar Jain, Neeraj Kumar, Giriraj T Kulkarni

Version 1 posted 23 April 2020

2,431

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5

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Analytical Chemistry

Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins

Stephanie Thibert, Deseree Reid, Jesse Wilson, Rohith Varikoti, Natalia Maltseva, Katherine Schultz, Agustin Kruel, Gyorgy Babnigg, Andrzej Joachimiak, Neeraj Kumar, Mowei Zhou

Version 1 posted 04 September 2023

330

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Theoretical and Computational Chemistry

Impact of Molecular Representations on Deep Learning Model Comparisons in Drug Response Predictions

Gihan Panapitiya, Rajeev Jain, Carter Knuston, Andrew McNaughton, Justin M. Wozniak, Thomas Brettin, Rick Stevens, Neeraj Kumar

Version 2 posted 02 September 2024

149

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Materials Science

Accurate Prediction of Voltage of Battery Electrode Materials Using Attention Based Graph Neural Networks

Steph-Yves Louis, Edirisuriya Siriwardane, Rajendra Joshi, Sadman Omee, Neeraj Kumar, Jianjun Hu

Version 2 posted 03 January 2022

1,162

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1

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