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Somesh Mohapatra
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Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties
HVT Nguyen, Y Jiang, S Mohapatra, W Wang, JC Barnes, NJ Oldenhuis, ...
Nature Chemistry 14 (1), 85-93, 2022
472022
Deep learning to design nuclear-targeting abiotic miniproteins
CK Schissel, S Mohapatra, JM Wolfe, CM Fadzen, K Bellovoda, CL Wu, ...
Nature chemistry 13 (10), 992-1000, 2021
45*2021
Chemistry-informed macromolecule graph representation for similarity computation, unsupervised and supervised learning
S Mohapatra, J An, R Gómez-Bombarelli
Machine Learning: Science and Technology 3 (1), 015028, 2022
41*2022
Learning matter: Materials design with machine learning and atomistic simulations
S Axelrod, D Schwalbe-Koda, S Mohapatra, J Damewood, KP Greenman, ...
Accounts of Materials Research 3 (3), 343-357, 2022
392022
Deep Learning for Prediction and Optimization of Rapid Flow Peptide Synthesis
S Mohapatra, N Hartrampf, M Poskus, A Loas, R Gomez-Bombarelli, ...
ChemRxiv, 2020
38*2020
Synthetic glycomacromolecules of defined valency, absolute configuration, and topology distinguish between human lectins
M Hartweg, Y Jiang, G Yilmaz, CM Jarvis, HVT Nguyen, GA Primo, ...
JACS Au 1 (10), 1621-1630, 2021
272021
Deep learning enables discovery of a short nuclear targeting peptide for efficient delivery of antisense oligomers
EM López-Vidal, CK Schissel, S Mohapatra, K Bellovoda, CL Wu, ...
JACS Au 1 (11), 2009-2020, 2021
162021
Iclr 2021 challenge for computational geometry & topology: Design and results
N Miolane, M Caorsi, U Lupo, M Guerard, N Guigui, J Mathe, Y Cabanes, ...
arXiv preprint arXiv:2108.09810, 2021
162021
Quantitative mapping of molecular substituents to macroscopic properties enables predictive design of oligoethylene glycol-based lithium electrolytes
B Qiao, S Mohapatra, J Lopez, GM Leverick, R Tatara, Y Shibuya, Y Jiang, ...
ACS central science 6 (7), 1115-1128, 2020
152020
A Model Ensemble Approach Enables Data-Driven Property Prediction for Chemically Deconstructable Thermosets in the Low-Data Regime
YS AlFaraj, S Mohapatra, P Shieh, KEL Husted, DG Ivanoff, EM Lloyd, ...
ACS Central Science 9 (9), 1810-1819, 2023
82023
Systematic investigation and in vitro biocompatibility studies on implantable magnetic nanocomposites for hyperthermia treatment of osteoarthritic knee joints
S Mohapatra, R Mishra, P Roy, KL Yadav, S Satapathi
Journal of Materials Science 52, 9262-9268, 2017
82017
Reusability report: Designing organic photoelectronic molecules with descriptor conditional recurrent neural networks
S Mohapatra, T Yang, R Gómez-Bombarelli
Nature Machine Intelligence 2 (12), 749-752, 2020
72020
Machine learning guides peptide nucleic acid flow synthesis and sequence design
C Li, G Zhang, S Mohapatra, AJ Callahan, A Loas, R Gómez‐Bombarelli, ...
Advanced Science 9 (34), 2201988, 2022
62022
Impact of cyclodextrin in drug delivery system
S Mohapatra, O Sapra, S Paroha, RD Dubey
Sustainable Agriculture Reviews 27, 271-293, 2018
32018
Implantable Magnetic-Dielectric Composites for Prolonged Hyperthermia Treatment of Hepatic Lesions
S Mohapatra, KL Yadav, A Srivastava
J Biotechnol Biomater 6 (230), 2, 2016
32016
Passenger demand forecasting of Indian aviation industry
MK Barua, S Mohapatra
The XVIII Annual International Conference of the Society of Operations …, 2014
22014
Sentiment is all you need to win US Presidential elections
S Mohapatra, S Mohapatra
arXiv preprint arXiv:2209.13487, 2022
12022
Design of Cytotoxic T Cell Epitopes by Machine Learning of Human Degrons
NL Truex, S Mohapatra, M Melo, J Rodriguez, N Li, W Abraham, ...
bioRxiv, 2023
2023
Unsupervised machine learning leads to an abiotic picomolar peptide ligand
JS Brown, S Mohapatra, MA Lee, R Misteli, Y Tseo, NM Grob, ...
2023
AI-assisted reaction impurity prediction and inverse structure elucidation
S Mohapatra
Massachusetts Institute of Technology, 2023
2023
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Articles 1–20