Samanta PN - Search Results

1

Recent Advances of In-Silico Modeling of Potent Antagonists for the Adenosine Receptors.

Samanta PN, Kar S, Leszczynski J. Samanta PN, et al. Curr Pharm Des. 2019;25(7):750-773. doi: 10.2174/1381612825666190304123545. Curr Pharm Des. 2019. PMID: 30836910 Review.

2

High-temperature thermoelectric transport behavior of the Al/γ-Al₂O₃ interface: impact of electron and phonon scattering at nanoscale metal-ceramic contacts.

Samanta PN , Leszczynski J . Samanta PN , et al. Phys Chem Chem Phys. 2018 May 30;20(21):14513-14524. doi: 10.1039/c8cp01374h. Phys Chem Chem Phys. 2018. PMID: 29766155

3

Negative thermal quenching of photoluminescence in a copper-organic framework emitter.

Wu T , Jiang S , Samanta PN , Xie Y , Li J , Wang X , Devashis M , Gu X , Wang Y , Huang W , Zhang Q , Leszczynski J , Wu D . Wu T , et al. Among authors: samanta pn. Chem Commun (Camb). 2020 Oct 14;56(80):12057-12060. doi: 10.1039/d0cc04788k. Epub 2020 Sep 9. Chem Commun (Camb). 2020. PMID: 32902532

4

Enhanced Perovskite Solar Cell Performance via 2-Amino-5-iodobenzoic Acid Passivation.

Xiong J, Samanta PN, Qi Y, Demeritte T, Williams K, Leszczynski J, Dai Q. Xiong J, et al. Among authors: samanta pn. ACS Appl Mater Interfaces. 2022 Feb 2;14(4):5414-5424. doi: 10.1021/acsami.1c22454. Epub 2022 Jan 20. ACS Appl Mater Interfaces. 2022. PMID: 35050592

5

Elucidating Atomistic Insight into the Dynamical Responses of the SARS-CoV-2 Main Protease for the Binding of Remdesivir Analogues: Leveraging Molecular Mechanics To Decode the Inhibition Mechanism.

Samanta PN, Majumdar D, Leszczynski J. Samanta PN, et al. J Chem Inf Model. 2023 Jun 12;63(11):3404-3422. doi: 10.1021/acs.jcim.3c00105. Epub 2023 May 22. J Chem Inf Model. 2023. PMID: 37216421

6

Ultrahigh Capacitive Energy Density in Stratified 2D Nanofiller-Based Polymer Dielectric Films.

Singh M, Das P, Samanta PN, Bera S, Thantirige R, Shook B, Nejat R, Behera B, Zhang Q, Dai Q, Pramanik A, Ray P, Raghavan D, Leszczynski J, Karim A, Pradhan NR. Singh M, et al. Among authors: samanta pn. ACS Nano. 2023 Oct 24;17(20):20262-20272. doi: 10.1021/acsnano.3c06249. Epub 2023 Oct 13. ACS Nano. 2023. PMID: 37830778 Free PMC article.

7

Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations.

Samanta PN, Das KK. Samanta PN, et al. J Mol Graph Model. 2016 Jan;63:38-48. doi: 10.1016/j.jmgm.2015.11.010. Epub 2015 Nov 18. J Mol Graph Model. 2016. PMID: 26619075

8

MRDCI study of the low-lying electronic states of PbSi.

Chakrabarti S, Samanta PN, Das KK. Chakrabarti S, et al. Among authors: samanta pn. J Phys Chem A. 2011 Nov 10;115(44):12331-9. doi: 10.1021/jp204733h. Epub 2011 Oct 17. J Phys Chem A. 2011. PMID: 21942343

9

Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copper(II) complexes of pyrazole based tridentate ligands: synthesis, structure, magnetic and computational studies.

Banerjee I, Samanta PN, Das KK, Ababei R, Kalisz M, Girard A, Mathonière C, Nethaji M, Clérac R, Ali M. Banerjee I, et al. Among authors: samanta pn. Dalton Trans. 2013 Feb 7;42(5):1879-92. doi: 10.1039/c2dt30983a. Epub 2012 Nov 22. Dalton Trans. 2013. PMID: 23172025

10

Noncovalent interaction assisted fullerene for the transportation of some brain anticancer drugs: A theoretical study.

Samanta PN, Das KK. Samanta PN, et al. J Mol Graph Model. 2017 Mar;72:187-200. doi: 10.1016/j.jmgm.2017.01.009. Epub 2017 Jan 8. J Mol Graph Model. 2017. PMID: 28110183

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