Zobrazeno 1 - 10
of 128
pro vyhledávání: '"Sherwin J. Singer"'
Publikováno v:
Biophys J
The VQIVYK fragment from the Tau protein, also known as PHF6, is essential for aggregation of Tau into neurofibrillary lesions associated with neurodegenerative diseases. VQIVYK itself forms amyloid fibrils composed of paired β-sheets. Therefore, th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d8c76dbbdd03a6ffe0af5e3e3eaa6ad
https://doi.org/10.1016/j.bpj.2021.01.032
https://doi.org/10.1016/j.bpj.2021.01.032
Autor:
Sherwin J. Singer, Si-Han Chen
Publikováno v:
The Journal of Physical Chemistry B. 123:6364-6384
The electrical double layer (EDL) at the amorphous silica-aqueous electrolyte interface is of long-standing scientific interest and current technological relevance. Using extensive molecular dynamics simulations, we have studied this EDL as a functio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::333490c0b5823e631f97a41004c125cd
https://doi.org/10.1021/acs.jpcb.9b05871
https://doi.org/10.1021/acs.jpcb.9b05871
Autor:
Sherwin J. Singer, Min-Sang Lee
Publikováno v:
The journal of physical chemistry. B. 125(9)
The dielectric response of a polar solvent to an ion is analyzed in terms of the bound charge, the net charge that accumulates near the ion as a consequence of the inhomogeneous polarization of the surrounding solvent. We demonstrate that the total b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::94e65e7dd3132875b6d2ec1faf81ea36
https://pubmed.ncbi.nlm.nih.gov/33645223
https://pubmed.ncbi.nlm.nih.gov/33645223
Publikováno v:
The Journal of chemical physics. 153(22)
Using molecular dynamics simulation of octane (C8) and nonadecane (C19), we probe the mechanism of n-alkane surface freezing, the appearance of a crystalline monolayer above the liquid at a temperature Tsf above the bulk freezing point Tf. Formation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12184a9ed78c6a26d8de62a57bf0c48f
https://pubmed.ncbi.nlm.nih.gov/33317286
https://pubmed.ncbi.nlm.nih.gov/33317286
Publikováno v:
Physical Review E. 98
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5a0451fa5ebfaef29ddc7cb8cd9ccd52
https://doi.org/10.1103/physreve.98.060401
https://doi.org/10.1103/physreve.98.060401
Publikováno v:
The Journal of Physical Chemistry B. 118:8170-8178
We study two situations in which nonequilibrium phenomena can be efficiently calculated using displacements, mean-squared displacements, or codisplacements instead of accumulating velocities or currents. The flow velocity profile for a fluid confined
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2418a520004d9679415e3631acd8f13
https://doi.org/10.1021/jp5012523
https://doi.org/10.1021/jp5012523
Publikováno v:
The Journal of chemical physics. 145(5)
The crystal-vapor surface free energy γ is an important physical parameter governing physical processes, such as wetting and adhesion. We explore exact and approximate routes to calculate γ based on cleaving an intact crystal into non-interacting s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f685502d5d72a314b935b9f7e4a7455
https://pubmed.ncbi.nlm.nih.gov/27497575
https://pubmed.ncbi.nlm.nih.gov/27497575
Publikováno v:
The Journal of chemical physics. 144(16)
When an electric field is applied across an interface, a dielectric will acquire a polarization charge layer, assumed infinitely thin in the theory of macroscopic dielectrics and also in most treatments of electrokinetic phenomena in nanoscale struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a04bc14da9134bce74b450b62c8af616
https://pubmed.ncbi.nlm.nih.gov/27131558
https://pubmed.ncbi.nlm.nih.gov/27131558
Autor:
Sherwin J. Singer, Christopher Knight
Publikováno v:
Advances in Chemical Physics, Volume 147
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e283b5b37d0488886d240a6e41d3f75d
https://doi.org/10.1002/9781118135242.ch1
https://doi.org/10.1002/9781118135242.ch1
Autor:
Sherwin J. Singer, Hui Zhang
Publikováno v:
The Journal of Physical Chemistry A. 115:6285-6296
We follow the evolution of the H(2)O/CO(2) interface at 300 K from the low pressure limit to near-critical pressures in molecular dynamics simulations using the SPC water and EPM2 carbon dioxide models. The intrinsic structure of the interface is elu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e5313bf48369408a3765acaa6206e75
https://doi.org/10.1021/jp200190k
https://doi.org/10.1021/jp200190k