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Items: 1 to 20 of 28

1.

Computational Nanoscopy of Tight Junctions at the Blood-Brain Barrier Interface.

Rajagopal N, Irudayanathan FJ, Nangia S.

Int J Mol Sci. 2019 Nov 8;20(22). pii: E5583. doi: 10.3390/ijms20225583. Review.

2.

Obtaining Protein Association Energy Landscape for Integral Membrane Proteins.

Rajagopal N, Nangia S.

J Chem Theory Comput. 2019 Nov 12;15(11):6444-6455. doi: 10.1021/acs.jctc.9b00626. Epub 2019 Oct 23.

PMID:
31593632
3.

The ghrelin O-acyltransferase structure reveals a catalytic channel for transmembrane hormone acylation.

CampaƱa MB, Irudayanathan FJ, Davis TR, McGovern-Gooch KR, Loftus R, Ashkar M, Escoffery N, Navarro M, Sieburg MA, Nangia S, Hougland JL.

J Biol Chem. 2019 Sep 27;294(39):14166-14174. doi: 10.1074/jbc.AC119.009749. Epub 2019 Aug 14.

PMID:
31413115
4.

Palmitoylation of Claudin-5 Proteins Influences Their Lipid Domain Affinity and Tight Junction Assembly at the Blood-Brain Barrier Interface.

Rajagopal N, Irudayanathan FJ, Nangia S.

J Phys Chem B. 2019 Feb 7;123(5):983-993. doi: 10.1021/acs.jpcb.8b09535. Epub 2019 Jan 28.

PMID:
30629442
5.

Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures.

Scher JA, Bayne MG, Srihari A, Nangia S, Chakraborty A.

J Chem Phys. 2018 Jul 7;149(1):014103. doi: 10.1063/1.5026027.

PMID:
29981557
6.

Self-Assembly Simulations of Classic Claudins-Insights into the Pore Structure, Selectivity, and Higher Order Complexes.

Irudayanathan FJ, Wang X, Wang N, Willsey SR, Seddon IA, Nangia S.

J Phys Chem B. 2018 Aug 2;122(30):7463-7474. doi: 10.1021/acs.jpcb.8b03842. Epub 2018 Jun 18.

PMID:
29869889
7.

Dynamics of OmpF Trimer Formation in the Bacterial Outer Membrane of Escherichia coli.

Ma H, Khan A, Nangia S.

Langmuir. 2018 May 15;34(19):5623-5634. doi: 10.1021/acs.langmuir.7b02653. Epub 2017 Dec 19.

PMID:
29166022
8.

Architecture of the paracellular channels formed by claudins of the blood-brain barrier tight junctions.

Irudayanathan FJ, Wang N, Wang X, Nangia S.

Ann N Y Acad Sci. 2017 Oct;1405(1):131-146. doi: 10.1111/nyas.13378. Epub 2017 Jun 14.

PMID:
28614588
9.

Modeling Diversity in Structures of Bacterial Outer Membrane Lipids.

Ma H, Cummins DD, Edelstein NB, Gomez J, Khan A, Llewellyn MD, Picudella T, Willsey SR, Nangia S.

J Chem Theory Comput. 2017 Feb 14;13(2):811-824. doi: 10.1021/acs.jctc.6b00856. Epub 2017 Jan 31.

PMID:
28080049
10.

Drug-Specific Design of Telodendrimer Architecture for Effective Doxorubicin Encapsulation.

Jiang W, Wang X, Guo D, Luo J, Nangia S.

J Phys Chem B. 2016 Sep 15;120(36):9766-77. doi: 10.1021/acs.jpcb.6b06070. Epub 2016 Aug 31.

PMID:
27513183
11.
12.

Combinatorial approaches to evaluate nanodiamond uptake and induced cellular fate.

Eldawud R, Reitzig M, Opitz J, Rojansakul Y, Jiang W, Nangia S, Dinu CZ.

Nanotechnology. 2016 Feb 26;27(8):085107. doi: 10.1088/0957-4484/27/8/085107. Epub 2016 Jan 28.

13.

Molecular Architecture of the Blood Brain Barrier Tight Junction Proteins--A Synergistic Computational and In Vitro Approach.

Irudayanathan FJ, Trasatti JP, Karande P, Nangia S.

J Phys Chem B. 2016 Jan 14;120(1):77-88. doi: 10.1021/acs.jpcb.5b09977. Epub 2015 Dec 29.

PMID:
26654362
14.

Optical Signature of Formation of Protein Corona in the Firefly Luciferase-CdSe Quantum Dot Complex.

Elward JM, Irudayanathan FJ, Nangia S, Chakraborty A.

J Chem Theory Comput. 2014 Dec 9;10(12):5224-8. doi: 10.1021/ct500681m.

PMID:
26583205
15.

Simulating Gram-Negative Bacterial Outer Membrane: A Coarse Grain Model.

Ma H, Irudayanathan FJ, Jiang W, Nangia S.

J Phys Chem B. 2015 Nov 19;119(46):14668-82. doi: 10.1021/acs.jpcb.5b07122. Epub 2015 Sep 25.

PMID:
26374325
16.

Signaling factor interactions with polysaccharide aggregates of bacterial biofilms.

DeSalvo SC, Liu Y, Choudhary GS, Ren D, Nangia S, Sureshkumar R.

Langmuir. 2015 Feb 17;31(6):1958-66. doi: 10.1021/la504721b. Epub 2015 Feb 3.

PMID:
25607640
17.

Multiscale approach to investigate self-assembly of telodendrimer based nanocarriers for anticancer drug delivery.

Jiang W, Luo J, Nangia S.

Langmuir. 2015 Apr 14;31(14):4270-80. doi: 10.1021/la503949b. Epub 2015 Jan 12.

18.

A structure-property relationship study of the well-defined telodendrimers to improve hemocompatibility of nanocarriers for anticancer drug delivery.

Shi C, Yuan D, Nangia S, Xu G, Lam KS, Luo J.

Langmuir. 2014 Jun 17;30(23):6878-88. doi: 10.1021/la5003513. Epub 2014 Jun 5.

19.

Effects of nanoparticle charge and shape anisotropy on translocation through cell membranes.

Nangia S, Sureshkumar R.

Langmuir. 2012 Dec 21;28(51):17666-71. doi: 10.1021/la303449d. Epub 2012 Oct 31.

PMID:
23088323
20.

Advanced Monte Carlo approach to study evolution of quartz surface during the dissolution process.

Nangia S, Garrison BJ.

J Am Chem Soc. 2009 Jul 15;131(27):9538-46. doi: 10.1021/ja901305y.

PMID:
19583435

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