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Neeraj Kumar
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Federated learning enables big data for rare cancer boundary detection
S Pati, U Baid, B Edwards, M Sheller, SH Wang, GA Reina, P Foley, ...
Nature communications 13 (1), 7346, 2022
3932022
Machine learning models for secure data analytics: A taxonomy and threat model
R Gupta, S Tanwar, S Tyagi, N Kumar
Computer Communications 153, 406-440, 2020
2952020
Homogenous electrocatalytic oxygen reduction rates correlate with reaction overpotential in acidic organic solutions
ML Pegis, BA McKeown, N Kumar, K Lang, DJ Wasylenko, XP Zhang, ...
ACS central science 2 (11), 850-856, 2016
2292016
Provably secure fine-grained data access control over multiple cloud servers in mobile cloud computing based healthcare applications
S Roy, AK Das, S Chatterjee, N Kumar, S Chattopadhyay, ...
IEEE Transactions on Industrial Informatics 15 (1), 457-468, 2018
2272018
A novel authentication and key agreement scheme for implantable medical devices deployment
M Wazid, AK Das, N Kumar, M Conti, AV Vasilakos
IEEE journal of biomedical and health informatics 22 (4), 1299-1309, 2017
1662017
Mechanism of Catalytic O2 Reduction by Iron Tetraphenylporphyrin
ML Pegis, DJ Martin, CF Wise, AC Brezny, SI Johnson, LE Johnson, ...
Journal of the American Chemical Society 141 (20), 8315-8326, 2019
1562019
High-throughput virtual screening and validation of a sars-cov-2 main protease noncovalent inhibitor
A Clyde, S Galanie, DW Kneller, H Ma, Y Babuji, B Blaiszik, A Brace, ...
Journal of chemical information and modeling 62 (1), 116-128, 2021
1302021
Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods
K Kornobis, N Kumar, BM Wong, P Lodowski, M Jaworska, T Andruniów, ...
The Journal of Physical Chemistry A 115 (7), 1280-1292, 2011
1272011
Circadian proteomic analysis uncovers mechanisms of post-transcriptional regulation in metabolic pathways
JM Hurley, MS Jankowski, H De los Santos, AM Crowell, SB Fordyce, ...
Cell systems 7 (6), 613-626. e5, 2018
1192018
Machine learning screening of metal-ion battery electrode materials
IA Moses, RP Joshi, B Ozdemir, N Kumar, J Eickholt, V Barone
ACS Applied Materials & Interfaces 13 (45), 53355-53362, 2021
1052021
Tuning catalytic bias of hydrogen gas producing hydrogenases
JH Artz, OA Zadvornyy, DW Mulder, SM Keable, AE Cohen, MW Ratzloff, ...
Journal of the American Chemical Society, 2019
982019
Bacillus subtilis SepF binds to the C-terminus of FtsZ
E Król, SP van Kessel, LS van Bezouwen, N Kumar, EJ Boekema, ...
PloS one 7 (8), e43293, 2012
78*2012
Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations
K Kornobis, N Kumar, P Lodowski, M Jaworska, P Piecuch, JJ Lutz, ...
Journal of computational chemistry 34 (12), 987-1004, 2013
732013
Controlling proton delivery through catalyst structural dynamics
AJP Cardenas, B Ginovska, N Kumar, J Hou, S Raugei, ML Helm, ...
Angewandte Chemie 128 (43), 13707-13711, 2016
642016
QoS-aware hierarchical web caching scheme for online video streaming applications in internet-based vehicular ad hoc networks
N Kumar, S Zeadally, JJPC Rodrigues
IEEE Transactions on Industrial Electronics 62 (12), 7892-7900, 2015
632015
Mechanistic insights into hydride transfer for catalytic hydrogenation of CO 2 with cobalt complexes
N Kumar, DM Camaioni, M Dupuis, S Raugei, AM Appel
Dalton Transactions 43 (31), 11803-11806, 2014
582014
Revealing the Formation Energy-Exfoliation Energy-Structure Correlation of MAB Phases using Machine Learning and DFT
EMD Siriwardane, R Joshi, N Kumar, D Cakir
ACS Applied Materials & Interfaces, 2020
562020
High-throughput screening of the ReFRAME, Pandemic Box, and COVID Box drug repurposing libraries against SARS-CoV2 nsp15 endoribonuclease to identify small-molecule inhibitors …
R Choi, M Zhou, R Shek, JW Wilson, L Tillery, JK Craig, IA Salukhe, ...
PloS one, 2021
522021
Artificial Intelligence for Autonomous Molecular Design: A Perspective
RP Joshi, N Kumar
Molecules 26 (22), 6761, 2021
512021
Decoding the protein–ligand interactions using parallel graph neural networks
C Knutson, M Bontha, JA Bilbrey, N Kumar
Scientific reports 12 (1), 1-14, 2022
482022
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Articles 1–20