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)

|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