Zobrazeno 1 - 10
of 23
pro vyhledávání: '"John M. Stubbs"'
Publikováno v:
Biophysical chemistry. 284
DNA microarrays utilize surface bound sequences to probe for target sequences in samples of interest, and density of surface coverage plays an important role in any duplex formation and subsequent detection. Here, Monte Carlo molecular simulations ut
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aeeac023d53f3b97f2d6fa4465c7ca0d
https://pubmed.ncbi.nlm.nih.gov/35240515
https://pubmed.ncbi.nlm.nih.gov/35240515
Publikováno v:
Chemical Physics Letters. 693:127-131
DNA duplexes consisting of a 25mer together with shorter complementary sequences were studied over a range of temperature and surface binding motifs using a coarse-grained two-site nucleotide model. Results were analyzed in terms of hydrogen bonding
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2dd6ed2a9f6b0f6dec1f339599ca119
https://doi.org/10.1016/j.cplett.2018.01.024
https://doi.org/10.1016/j.cplett.2018.01.024
Autor:
Michael T. Huber, John M. Stubbs
Publikováno v:
Journal of Molecular Liquids. 245:91-96
Pressure-composition phase diagrams were determined for binary systems of CO 2 + 1-pentanol, CO 2 + 2-pentanone, CO 2 + 1-octene, and CO 2 + ethylbenzene at 308.15, 328.15, and 348.15 K. Monte Carlo molecular simulations in the Gibbs ensemble allowed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::543bee007ab5c55e1bed548407b31fb5
https://doi.org/10.1016/j.molliq.2017.06.074
https://doi.org/10.1016/j.molliq.2017.06.074
Autor:
John M. Stubbs
Publikováno v:
The Journal of Supercritical Fluids. 108:104-122
Molecular simulation has become increasingly common as a means to study properties of pure supercritical fluids (SCFs) as well as their solutions. With the large number of studies, and wide range of properties reported, it is advantageous to summariz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::015139f698513795a69c000e6a79f14b
https://doi.org/10.1016/j.supflu.2015.10.027
https://doi.org/10.1016/j.supflu.2015.10.027
Autor:
Sarah J. Cooper, John M. Stubbs
Publikováno v:
Chemical Physics Letters. 634:230-235
Monte Carlo molecular simulations of DNA decamer–hexamer strands were carried out over a range of temperatures, both free in solution and bound to a surface in several possible fashions, to investigate the effect of dangling end nucleotides on hybr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e072400536fe19624cdb9bd0a28dc6b
https://doi.org/10.1016/j.cplett.2015.06.024
https://doi.org/10.1016/j.cplett.2015.06.024
Autor:
John M. Stubbs
Publikováno v:
Fluid Phase Equilibria. 305:76-82
The partitioning of ethylbenzene between poly(ethylene glycol) (PEG) and supercritical carbon dioxide was studied at 308.15, 328.15 and 348.15 K and 10, 15.5 and 20 MPa with PEG-400, 600 and 900 using Monte Carlo molecular simulation. The effect of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9be88fa70698ed5a2dfe31533d533338
https://doi.org/10.1016/j.fluid.2011.03.014
https://doi.org/10.1016/j.fluid.2011.03.014
Autor:
John M. Stubbs, Nicholas B. Tito
Publikováno v:
Chemical Physics Letters. 485:354-359
Configurational-bias Monte Carlo simulations were carried out on deoxyribonucleic acid (DNA) decamers using a coarse-grained molecular model. The effects of single mutations on the melting transition were investigated as were heterogeneous systems wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::094b183a8406a2653f217911b1dc5d27
https://doi.org/10.1016/j.cplett.2009.12.079
https://doi.org/10.1016/j.cplett.2009.12.079
Publikováno v:
The Journal of Physical Chemistry B. 109:18974-18982
The transferable potentials for phase equilibria (TraPPE) force fields are extended to amine, nitro, nitrile, and amide functionalities and to pyridine and pyrimidine. In many cases, the same parameters for a functional group are used for both united
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8908640aba600f605f70230b6d2f5ef1
https://doi.org/10.1021/jp0504827
https://doi.org/10.1021/jp0504827
Autor:
J. Ilja Siepmann, John M. Stubbs
Publikováno v:
Journal of the American Chemical Society. 127:4722-4729
Fourier transform infrared spectroscopy is a popular method for the experimental investigation of hydrogen-bonded aggregates, but linking spectral information to microscopic information on aggregate size distribution and aggregate architecture is an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e91ccef6123fd44d3a3708f5a00cb1c
https://doi.org/10.1021/ja044380q
https://doi.org/10.1021/ja044380q
Publikováno v:
Molecular Physics. 103:99-104
Self-adapting fixed endpoint configurational-bias Monte Carlo simulations in the Gibbs ensemble were carried out to determine the vapour–liquid coexistence curves of cyclic alkanes from c-pentane to c-octadecane. In general, the critical temperatur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::22df48c545f0dcee5c50a636cbcab637
https://doi.org/10.1080/00268970412331303341
https://doi.org/10.1080/00268970412331303341