Zobrazeno 1 - 10
of 58
pro vyhledávání: '"See Wing Chiu"'
Publikováno v:
Langmuir. 35:10522-10532
Li+ is a biologically active and medically important cation. Experiments show that Li+ modulates some phospholipid bilayer properties in a manner similar to divalent cations, rather than other monovalent cations. We previously performed a comparative
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9862dbd90aa1ccfb237f7c195286999
https://doi.org/10.1021/acs.langmuir.9b01275
https://doi.org/10.1021/acs.langmuir.9b01275
Publikováno v:
Langmuir. 33:1105-1115
Interactions of monovalent salts with lipid membranes are explored with molecular dynamics (MD) simulations. The simulations included the monovalent ions Na+ and K+, for their importance in physiology, Li+ for its small size and importance in several
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36995cf39bf1ea65a7012ed87d1b5246
https://doi.org/10.1021/acs.langmuir.6b04166
https://doi.org/10.1021/acs.langmuir.6b04166
Autor:
James Kruczek, Eric Jakobsson, See Wing Chiu, Orlando Argüello-Miranda, Zeeshan Fazal, Santiago Núñez-Corrales, Laura Pritchet, Sagar A. Pandit
Publikováno v:
The Journal of Membrane Biology
Lithium has literally been everywhere forever, since it is one of the three elements created in the Big Bang. Lithium concentration in rocks, soil, and fresh water is highly variable from place to place, and has varied widely in specific regions over
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b6919e4f408011853c3a555c4ccc594
https://pubmed.ncbi.nlm.nih.gov/29127487
https://pubmed.ncbi.nlm.nih.gov/29127487
Publikováno v:
The Journal of Physical Chemistry. B
We have developed an automated parameter optimization software framework (ParOpt) that implements the Nelder-Mead simplex algorithm and applied it to a coarse-grained polarizable water model. The model employs a tabulated, modified Morse potential wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fd9abdc5c95bc21fb7b859f74d970c1
https://doi.org/10.1021/jp409545x
https://doi.org/10.1021/jp409545x
Publikováno v:
Chemistry and Physics of Lipids. 164:251-257
Conjugated linoleic acids (CLA) are found naturally in dairy products. Two isomers of CLA, that differ only in the location of cis and trans double bonds, are found to have distinct and different biological effects. The cis 9 trans 11 (C9T11) isomer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f7b19a0e128181808317bdc71c7138e
https://doi.org/10.1016/j.chemphyslip.2011.02.002
https://doi.org/10.1016/j.chemphyslip.2011.02.002
Publikováno v:
Journal of Computational and Theoretical Nanoscience. 7:2555-2567
Ion channels, as natures' solution to regulating biological environments, are particularly interesting to device engineers seeking to understand how natural molecular systems realize device-like functions, such as stochastic sensing of organic analyt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bda7b32998aa3556d663f35a14718737
https://doi.org/10.1166/jctn.2010.1642
https://doi.org/10.1166/jctn.2010.1642
Publikováno v:
The Journal of Physical Chemistry B. 113:2748-2763
We introduce a new force field (43A1-S3) for simulation of membranes by the Gromacs simulation package. Construction of the force fields is by standard methods of electronic structure computations for bond parameters and charge distribution and speci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b54afaa3c7c6a5270c07715f9f642de7
https://doi.org/10.1021/jp807056c
https://doi.org/10.1021/jp807056c
Publikováno v:
Biophysical Journal. 92(3):920-927
Experimental evidence indicates that, under some circumstances, “surrogate” molecules may play the same role as cholesterol in ordering membrane lipids. The simplest molecule in this class is Ceramide. In this article, we describe atomic-level mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37927bbac368807994ec6e65c85c2fc7
Publikováno v:
Biophysical Journal. 112:42a
Lithium is profoundly different from other ions in the body in multiple ways. Extracellular concentrations of calcium, sodium, potassium, and hydrogen ions must be closely regulated for well-being. On the other hand, the body does not closely regulat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ecb1fd765ebc1052c6edae44ab38c7c
https://doi.org/10.1016/j.bpj.2016.11.267
https://doi.org/10.1016/j.bpj.2016.11.267
Publikováno v:
The Journal of Chemical Physics. 114:5435-5443
We have applied a hybrid equilibration and sampling procedure for the atomic-level simulation of a hydrated lipid bilayer to systems consisting of dipalmitoyl phosphatidylcholine (DPPC) and cholesterol. The procedure is applied to a bilayer of 64 mol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dac9d01901aeb9eaa71bd0894d17dc38
https://doi.org/10.1063/1.1349057
https://doi.org/10.1063/1.1349057