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Shikha Nangia, Ph.D. - Publications

Affiliations: 
2006 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry
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21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Ji J, Carpentier B, Chakraborty A, Nangia S. An Affordable Topography-Based Protocol for Assigning a Residue's Character on a Hydropathy (PARCH) Scale. Journal of Chemical Theory and Computation. PMID 37018141 DOI: 10.1021/acs.jctc.3c00106  0.459
2020 Man VH, Li MS, Derreumaux P, Wang J, Nguyen TT, Nangia S, Nguyen PH. Molecular mechanism of ultrasound interaction with a blood brain barrier model. The Journal of Chemical Physics. 153: 045104. PMID 32752695 DOI: 10.1063/5.0010667  0.307
2019 Rajagopal N, Irudayanathan FJ, Nangia S. Computational Nanoscopy of Tight Junctions at the Blood-Brain Barrier Interface. International Journal of Molecular Sciences. 20. PMID 31717316 DOI: 10.3390/Ijms20225583  0.32
2019 Rajagopal N, Nangia S. Obtaining Protein Association Energy Landscape (PANEL) for Integral Membrane Proteins. Journal of Chemical Theory and Computation. PMID 31593632 DOI: 10.1021/Acs.Jctc.9B00626  0.345
2018 Scher JA, Bayne MG, Srihari A, Nangia S, Chakraborty A. Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures. The Journal of Chemical Physics. 149: 014103. PMID 29981557 DOI: 10.1063/1.5026027  0.555
2018 Irudayanathan FJ, Wang X, Wang N, Willsey SR, Seddon IA, Nangia S. Self-Assembly Simulations of Classic Claudins-insights into the Pore Structure, Selectivity and Higher Order Complexes. The Journal of Physical Chemistry. B. PMID 29869889 DOI: 10.1021/Acs.Jpcb.8B03842  0.307
2017 Ma H, Khan A, Nangia S. Dynamics of OmpF trimer formation in the bacterial outer membrane of Escherichia coli. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29166022 DOI: 10.1021/Acs.Langmuir.7B02653  0.317
2017 Irudayanathan FJ, Wang N, Wang X, Nangia S. Architecture of the paracellular channels formed by claudins of the blood-brain barrier tight junctions. Annals of the New York Academy of Sciences. PMID 28614588 DOI: 10.1111/Nyas.13378  0.311
2016 Nangia S, Jasper AW, Miller TF, Truhlar DG. Erratum: "Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method" [J. Chem. Phys. 120, 3586 (2004)]. The Journal of Chemical Physics. 144: 139901. PMID 27059592 DOI: 10.1063/1.4944694  0.601
2016 Eldawud R, Reitzig M, Opitz J, Rojansakul Y, Jiang W, Nangia S, Dinu CZ. Combinatorial approaches to evaluate nanodiamond uptake and induced cellular fate. Nanotechnology. 27: 085107. PMID 26820775 DOI: 10.1088/0957-4484/27/8/085107  0.302
2015 Irudayanathan FJ, Trasatti JP, Karande P, Nangia S. Molecular Architecture of the Blood Brain Barrier Tight Junction Proteins-A Synergistic Computational and In Vitro Approach. The Journal of Physical Chemistry. B. PMID 26654362 DOI: 10.1021/Acs.Jpcb.5B09977  0.33
2014 Elward JM, Irudayanathan FJ, Nangia S, Chakraborty A. Optical Signature of Formation of Protein Corona in the Firefly Luciferase-CdSe Quantum Dot Complex. Journal of Chemical Theory and Computation. 10: 5224-8. PMID 26583205 DOI: 10.1021/Ct500681M  0.507
2014 Shi C, Yuan D, Nangia S, Xu G, Lam KS, Luo J. A structure-property relationship study of the well-defined telodendrimers to improve hemocompatibility of nanocarriers for anticancer drug delivery. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 6878-88. PMID 24849780 DOI: 10.1021/La5003513  0.315
2010 Nangia S, Garrison BJ. Theoretical advances in the dissolution studies of mineral-water interfaces Theoretical Chemistry Accounts. 127: 271-284. DOI: 10.1007/S00214-010-0770-2  0.367
2009 Nangia S, Garrison BJ. Advanced Monte Carlo approach to study evolution of quartz surface during the dissolution process. Journal of the American Chemical Society. 131: 9538-46. PMID 19583435 DOI: 10.1021/Ja901305Y  0.354
2006 Nangia S, Truhlar DG. Direct calculation of coupled diabatic potential-energy surfaces for ammonia and mapping of a four-dimensional conical intersection seam. The Journal of Chemical Physics. 124: 124309. PMID 16599676 DOI: 10.1063/1.2168447  0.442
2006 Jasper AW, Nangia S, Zhu C, Truhlar DG. Non-Born-Oppenheimer molecular dynamics. Accounts of Chemical Research. 39: 101-8. PMID 16489729 DOI: 10.1021/Ar040206V  0.643
2005 Nangia S, Truhlar DG, McGuire MJ, Piecuch P. Can a single-reference approach provide a balanced description of ground and excited states? A comparison of the completely renormalized equation-of-motion coupled-cluster method with multireference quasidegenerate perturbation theory near a conical intersection and along a photodissociation coordinate in ammonia. The Journal of Physical Chemistry. A. 109: 11643-6. PMID 16366611 DOI: 10.1021/Jp0556355  0.446
2004 Zhu C, Nangia S, Jasper AW, Truhlar DG. Coherent switching with decay of mixing: an improved treatment of electronic coherence for non-Born-Oppenheimer trajectories. The Journal of Chemical Physics. 121: 7658-70. PMID 15485225 DOI: 10.1063/1.1793991  0.623
2004 Jasper AW, Zhu C, Nangia S, Truhlar DG. Introductory lecture: nonadiabatic effects in chemical dynamics. Faraday Discussions. 127: 1-22. PMID 15471336 DOI: 10.1039/B405601A  0.652
2004 Nangia S, Jasper AW, Miller TF, Truhlar DG. Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method. The Journal of Chemical Physics. 120: 3586-97. PMID 15268520 DOI: 10.1063/1.1641019  0.619
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