Gómez-Bombarelli R - Search Results

1

Editorial: Driving Innovation in Organic Optoelectronic Materials With Physics-Based and Machine-Learning De Novo Methods.

Winget P, Halls MD, Gómez-Bombarelli R, Adachi C. Winget P, et al. Front Chem. 2022 Aug 3;10:973254. doi: 10.3389/fchem.2022.973254. eCollection 2022. Front Chem. 2022. PMID: 35991615 Free PMC article. No abstract available.

2

Chemistry-Informed Machine Learning for Polymer Electrolyte Discovery.

Bradford G, Lopez J, Ruza J, Stolberg MA, Osterude R, Johnson JA, Gomez-Bombarelli R, Shao-Horn Y. Bradford G, et al. ACS Cent Sci. 2023 Jan 23;9(2):206-216. doi: 10.1021/acscentsci.2c01123. eCollection 2023 Feb 22. ACS Cent Sci. 2023. PMID: 36844492 Free PMC article.

3

Deep learning to design nuclear-targeting abiotic miniproteins.

Schissel CK, Mohapatra S, Wolfe JM, Fadzen CM, Bellovoda K, Wu CL, Wood JA, Malmberg AB, Loas A, Gómez-Bombarelli R, Pentelute BL. Schissel CK, et al. Nat Chem. 2021 Oct;13(10):992-1000. doi: 10.1038/s41557-021-00766-3. Epub 2021 Aug 9. Nat Chem. 2021. PMID: 34373596 Free PMC article.

4

Thermal Half-Lives of Azobenzene Derivatives: Virtual Screening Based on Intersystem Crossing Using a Machine Learning Potential.

Axelrod S, Shakhnovich E, Gómez-Bombarelli R. Axelrod S, et al. ACS Cent Sci. 2023 Jan 25;9(2):166-176. doi: 10.1021/acscentsci.2c00897. eCollection 2023 Feb 22. ACS Cent Sci. 2023. PMID: 36844486 Free PMC article.

5

Data-Driven Design of Biselective Templates for Intergrowth Zeolites.

Schwalbe-Koda D, Corma A, Román-Leshkov Y, Moliner M, Gómez-Bombarelli R. Schwalbe-Koda D, et al. J Phys Chem Lett. 2021 Nov 4;12(43):10689-10694. doi: 10.1021/acs.jpclett.1c03132. Epub 2021 Oct 28. J Phys Chem Lett. 2021. PMID: 34709806 Free article.

6

Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation.

Yang S, Nam J, Dietschreit JCB, Gómez-Bombarelli R. Yang S, et al. Among authors: gomez bombarelli r. J Chem Theory Comput. 2024 Aug 13;20(15):6559-6568. doi: 10.1021/acs.jctc.4c00435. Epub 2024 Jul 29. J Chem Theory Comput. 2024. PMID: 39073442

7

Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties.

Nguyen HV, Jiang Y, Mohapatra S, Wang W, Barnes JC, Oldenhuis NJ, Chen KK, Axelrod S, Huang Z, Chen Q, Golder MR, Young K, Suvlu D, Shen Y, Willard AP, Hore MJA, Gómez-Bombarelli R, Johnson JA. Nguyen HV, et al. Nat Chem. 2022 Jan;14(1):85-93. doi: 10.1038/s41557-021-00826-8. Epub 2021 Nov 25. Nat Chem. 2022. PMID: 34824461 Free PMC article.

8

Machine-learning-accelerated simulations to enable automatic surface reconstruction.

Du X, Damewood JK, Lunger JR, Millan R, Yildiz B, Li L, Gómez-Bombarelli R. Du X, et al. Nat Comput Sci. 2023 Dec;3(12):1034-1044. doi: 10.1038/s43588-023-00571-7. Epub 2023 Dec 7. Nat Comput Sci. 2023. PMID: 38177720

9

Benchmarking binding energy calculations for organic structure-directing agents in pure-silica zeolites.

Schwalbe-Koda D, Gómez-Bombarelli R. Schwalbe-Koda D, et al. J Chem Phys. 2021 May 7;154(17):174109. doi: 10.1063/5.0044927. J Chem Phys. 2021. PMID: 34241075

10

Machine Learning Guides Peptide Nucleic Acid Flow Synthesis and Sequence Design.

Li C, Zhang G, Mohapatra S, Callahan AJ, Loas A, Gómez-Bombarelli R, Pentelute BL. Li C, et al. Adv Sci (Weinh). 2022 Dec;9(34):e2201988. doi: 10.1002/advs.202201988. Epub 2022 Oct 21. Adv Sci (Weinh). 2022. PMID: 36270977 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

71 results

Search Page

Filters