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Neeraj Kumar

17PUBLICATIONS

49CO-AUTHORS

Knowledge representation and reasoningBiomolecular modelling and designMedical molecular engineering of nucleic acids and proteinsNonlinear optics and spectroscopyCheminformatics and quantitative structure-activity relationships

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Publications (17)

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|Nov 25, 2024

CACTUS: Chemistry Agent Connecting Tool Usage to Science.

Andrew D McNaughton, Gautham Krishna Sankar Ramalaxmi, Agustin Kruel

|Mar 27, 2024

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

Stephanie M Thibert, Deseree J Reid, Jesse W Wilson

|Feb 23, 2024

Leveraging Artificial Intelligence to Expedite Antibody Design and Enhance Antibody-Antigen Interactions.

Doo Nam Kim, Andrew D McNaughton, Neeraj Kumar

|Feb 27, 2023

Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties.

Andrew D McNaughton, Rajendra P Joshi, Carter R Knutson

|Feb 22, 2023

AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.

Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson

|Jun 06, 2022

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

Steph-Yves Louis, Edirisuriya M Dilanga Siriwardane, Rajendra P Joshi

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Frequent Collaborators

4 joint publications

Andrew D McNaughton

3 joint publications

Agustin Kruel

2 joint publications

Leighton Coates

2 joint publications

Mowei Zhou

2 joint publications

Andrey Kovalevsky

2 joint publications

Simone Raugei

2 joint publications

Daniel W Kneller

2 joint publications

Jesse William Wilson

2 joint publications

Arvind Ramanathan

2 joint publications

Edirisuriya M Dilanga Siriwardane

Frequent Collaborators

4 joint publications

Andrew D McNaughton

3 joint publications

Agustin Kruel

2 joint publications

Leighton Coates

2 joint publications

Mowei Zhou

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