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De Novo Structure-Based Drug Design Using Deep Learning.
J Chem Inf Model. 2022 Nov 14;62(21):5100-5109. doi: 10.1021/acs.jcim.1c01319. Epub 2021 Nov 18.
J Chem Inf Model. 2022.
PMID: 34792338
Review.
An interpretable machine learning model for selectivity of small-molecules against homologous protein family.
Vangala SR, Bung N, Krishnan SR, Roy A.
Vangala SR, et al.
Future Med Chem. 2022 Oct;14(20):1441-1453. doi: 10.4155/fmc-2022-0075. Epub 2022 Sep 28.
Future Med Chem. 2022.
PMID: 36169035
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pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules.
Vangala SR, Krishnan SR, Bung N, Srinivasan R, Roy A.
Vangala SR, et al.
J Chem Inf Model. 2023 Aug 28;63(16):5066-5076. doi: 10.1021/acs.jcim.3c00689. Epub 2023 Aug 16.
J Chem Inf Model. 2023.
PMID: 37585609
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Two-dimensional BN buffer for plasma enhanced atomic layer deposition of Al2O3 gate dielectrics on graphene field effect transistors.
Snure M, Vangala SR, Prusnick T, Grzybowski G, Crespo A, Leedy KD.
Snure M, et al. Among authors: vangala sr.
Sci Rep. 2020 Sep 7;10(1):14699. doi: 10.1038/s41598-020-71108-5.
Sci Rep. 2020.
PMID: 32895395
Free PMC article.
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Electrophile-Directed Diastereoselective Oxonitrile Alkylations.
Chepyshev SV, Pitta BR, Vangala SR, Lujan-Montelongo JA, Steward OW, Fleming FF.
Chepyshev SV, et al. Among authors: vangala sr.
Chemistry. 2018 Feb 26;24(12):2850-2853. doi: 10.1002/chem.201705791. Epub 2018 Feb 5.
Chemistry. 2018.
PMID: 29327787
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Asymmetric photonic resonances in GaN slab waveguide for mid infrared selective filters.
Vangala SR, Avrutsky I, Keiffer P, Nader N, Walker D Jr, Cleary JW, Hendrickson JR.
Vangala SR, et al.
Opt Express. 2014 Oct 6;22(20):24742-51. doi: 10.1364/OE.22.024742.
Opt Express. 2014.
PMID: 25322049
Free article.
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The first total synthesis of nhatrangin A.
Kamal A, Vangala SR.
Kamal A, et al. Among authors: vangala sr.
Org Biomol Chem. 2013 Jul 21;11(27):4442-8. doi: 10.1039/c3ob40252e.
Org Biomol Chem. 2013.
PMID: 23589121
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Mid-infrared doping tunable transmission through subwavelength metal hole arrays on InSb.
Passmore BS, Allen DG, Vangala SR, Goodhue WD, Wasserman D, Shaner EA.
Passmore BS, et al. Among authors: vangala sr.
Opt Express. 2009 Jun 8;17(12):10223-30. doi: 10.1364/oe.17.010223.
Opt Express. 2009.
PMID: 19506676
Free article.
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