Hydrophobe-Water Interactions: Methane as a Model
نویسندگان
چکیده
منابع مشابه
Hydrophobe-water interactions: methane as a model.
Recent molecular-dynamics simulations have demonstrated that the use of an empirical hydrophobic potential displaying two minima, i.e., one for hydrophobes in close contact and one for hydrophobes separated by a hydration layer, leads to a marked improvement in protein structure prediction. This potential is supported by experimental data and simulations, but its physical origin and mathematica...
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0009-2614/$ see front matter 2011 Elsevier B.V. A doi:10.1016/j.cplett.2011.03.013 ⇑ Corresponding author at: Departamento de Quími Ciências, Universidade de Lisboa, 1749-016 Lisboa, Po E-mail address: [email protected] (B.J.C. Cabral). Electronic properties of a methane–water solution were investigated by a sequential quantum mechanical/molecular dynamics approach. Upon hydration methane acquir...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2008
ISSN: 0006-3495
DOI: 10.1529/biophysj.108.137216