| dbo:abstract |
When examining a system computationally one may be interested in knowing how the free energy changes as a function of some inter- or intramolecular coordinate (such as the distance between two atoms or a torsional angle). The free energy surface along the chosen coordinate is referred to as the potential of mean force (PMF). If the system of interest is in a solvent, then the PMF also incorporates the solvent effects. (en) 平均力ポテンシャル（へいきんりょくポテンシャル、英: potential of mean force、略称: PMF）とは、任意に選んだある座標に沿った自由エネルギー曲面のことである。ある系を計算により取り扱う場合、分子内・分子間座標（原子間距離や二面角など）の関数としての自由エネルギー変化に興味が持たれる。もし溶媒中の系に着目していれば、PMFには溶媒効果が含まれる。 (ja) |
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dbr:David_Chandler_(chemist) dbr:Umbrella_sampling dbr:Potential_energy_surface dbr:Molecular_dynamics dbc:Physical_chemistry dbr:Free_energy_perturbation dbr:Radial_distribution_function dbr:Statistical_potential dbr:Boltzmann_inversion_method dbr:Introduction_to_Modern_Statistical_Mechanics |
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| rdfs:comment |
When examining a system computationally one may be interested in knowing how the free energy changes as a function of some inter- or intramolecular coordinate (such as the distance between two atoms or a torsional angle). The free energy surface along the chosen coordinate is referred to as the potential of mean force (PMF). If the system of interest is in a solvent, then the PMF also incorporates the solvent effects. (en) 平均力ポテンシャル（へいきんりょくポテンシャル、英: potential of mean force、略称: PMF）とは、任意に選んだある座標に沿った自由エネルギー曲面のことである。ある系を計算により取り扱う場合、分子内・分子間座標（原子間距離や二面角など）の関数としての自由エネルギー変化に興味が持たれる。もし溶媒中の系に着目していれば、PMFには溶媒効果が含まれる。 (ja) |
| rdfs:label |
平均力ポテンシャル (ja) Potential of mean force (en) |
| owl:sameAs |
freebase:Potential of mean force wikidata:Potential of mean force dbpedia-ja:Potential of mean force https://global.dbpedia.org/id/fYSA |
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wikipedia-en:Potential_of_mean_force?oldid=1104056387&ns=0 |
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dbr:PMF |
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