Publications

Found 10 results

Filters: Author is Somesh Mohapatra [Clear All Filters]

2022

H. V. - T. Nguyen, Jiang, Y., Mohapatra, S., Wang, W., Barnes, J. C., Oldenhuis, N. J., Chen, K. K., Axelrod, S., Huang, Z., Chen, Q., Golder, M. R., Young, K., Suvlu, D., Shen, Y., Willard, A. P., Hore, M. J. A., Gómez-Bombarelli, R., and Johnson, J. A., “Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties”, Nature Chemistry, vol. 14, pp. 85-93, 2022.

S. Mohapatra, An, J., and Gómez-Bombarelli, R., “Chemistry-informed Macromolecule Graph Representation for Similarity Computation, Unsupervised and Supervised Learning”, Machine Learning: Science and Technology, 2022.

S. Axelrod, Schwalbe-Koda, D., Mohapatra, S., Damewood, J., Greenman, K. P., and Gómez-Bombarelli, R., “Learning Matter: Materials Design with Machine Learning and Atomistic Simulations”, Accounts of Materials Research, 2022.

2021

E. M. López-Vidal, Schissel, C. K., Mohapatra, S., Bellovoda, K., Wu, C. - L., Wood, J. A., Malmberg, A. B., Loas, A., Gómez-Bombarelli, R., and Pentelute, B. L., “Deep Learning Enables Discovery of a Short Nuclear Targeting Peptide for Efficient Delivery of Antisense Oligomers”, JACS Au, vol. 1(11), pp. 2009–2020, 2021.

C. K. Schissel, Mohapatra, S., Wolfe, J. M., Fadzen, C. M., Bellovoda, K., Wu, C. - L., Wood, J. A., Malmberg, A. B., Loas, A., Gómez-Bombarelli, R., and Pentelute, B. L., “Deep learning to design nuclear-targeting abiotic miniproteins”, Nature Chemistry, 2021.

C. Li, Zhang, G., Mohapatra, S., Callahan, A. J., Loas, A., Gómez-Bombarelli, R., and Pentelute, B. L., “Machine Learning Guides Peptide Nucleic Acid Flow Synthesis and Sequence Design”, Advanced Science, p. 2201988, 2021.

M. Hartweg, Jiang, Y., Yilmaz, G., Jarvis, C. M., Nguyen, H. V. - T., Primo, G. A., Monaco, A., Beyer, V. P., Chen, K. K., Mohapatra, S., Axelrod, S., Gómez-Bombarelli, R., Kiessling, L. L., Becer, C. Remzi, and Johnson, J. A., “Synthetic Glycomacromolecules of Defined Valency, Absolute Configuration, and Topology Distinguish between Human Lectins”, JACS Au, vol. 1(10), pp. 1621–1630, 2021.

2020

S. Mohapatra, Hartrampf, N., Poskus, M., Loas, A., Gómez-Bombarelli, R., and Pentelute, B. L., “Deep learning for prediction and optimization of fast-flow peptide synthesis”, ACS central science, vol. 6, pp. 2277–2286, 2020.

B. Qiao, Mohapatra, S., Lopez, J., Leverick, G., Tatara, R., Shibuya, Y., Jiang, Y., France-Lanord, A., Grossman, J. C., Gómez-Bombarelli, R., Johnson, J., and Shao-Horn, Y., “Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethyleneglycol-Based Lithium Electrolytes”, ACS Central Science, 2020.

S. Mohapatra, Yang, T., and Gómez-Bombarelli, R., “Reusability report: Designing organic photoelectronic molecules with descriptor conditional recurrent neural networks”, Nature Machine Intelligence, vol. 2, pp. 749–752, 2020.