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Quantum Chemistry Calculations for Metabolomics.
Borges RM, Colby SM, Das S, Edison AS, Fiehn O, Kind T, Lee J, Merrill AT, Merz KM Jr, Metz TO, Nunez JR, Tantillo DJ, Wang LP, Wang S, Renslow RS. Borges RM, et al. Among authors: das s. Chem Rev. 2021 May 26;121(10):5633-5670. doi: 10.1021/acs.chemrev.0c00901. Epub 2021 May 12. Chem Rev. 2021. PMID: 33979149 Free PMC article. Review.
In Silico Collision Cross Section Calculations to Aid Metabolite Annotation.
Das S, Tanemura KA, Dinpazhoh L, Keng M, Schumm C, Leahy L, Asef CK, Rainey M, Edison AS, Fernández FM, Merz KM Jr. Das S, et al. J Am Soc Mass Spectrom. 2022 May 4;33(5):750-759. doi: 10.1021/jasms.1c00315. Epub 2022 Apr 4. J Am Soc Mass Spectrom. 2022. PMID: 35378036 Free PMC article.
Molecular Gas-Phase Conformational Ensembles.
Das S, Merz KM Jr. Das S, et al. J Chem Inf Model. 2024 Feb 12;64(3):749-760. doi: 10.1021/acs.jcim.3c01309. Epub 2024 Jan 11. J Chem Inf Model. 2024. PMID: 38206321
Harnessing Environmental Sensitivity in SnSe-Based Metal-Semiconductor-Metal Devices: Unveiling Negative Photoconductivity for Enhanced Photodetector Performance and Humidity Sensing.
Rani S, Das S, Siddiqui SA, Jain A, Rani D, Pahuja M, Chaudhary N, Afshan M, Ghosh R, Swadia D, Riyajuddin SK, Bera C, Ghosh K. Rani S, et al. Among authors: das s. ACS Appl Mater Interfaces. 2024 May 13. doi: 10.1021/acsami.4c02539. Online ahead of print. ACS Appl Mater Interfaces. 2024. PMID: 38741334
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