Aqueous solvation of polyalanine α-helices with specific water molecules and with the CPCM and SM5.2 aqueous continuum models using density functional theory
about
Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives.Binding selectivity of dibenzo-18-crown-6 for alkali metal cations in aqueous solution: A density functional theory study using a continuum solvation modelDensity functional theory study of β-hairpins in antiparallel β-sheets, a new classification based upon H-bond topology.The folding of acetyl(Ala)28NH2 and acetyl(Ala)40NH2 extended strand peptides into antiparallel β-sheets. A density functional theory study of β-sheets with β-turns.The interactions of phenylalanines in β-sheet-like structures from molecular orbital calculations using density functional theory (DFT), MP2, and CCSD(T) methodsCapping parallel β-sheets of acetyl(Ala)6NH2 with an acetyl(Ala)5ProNH2 can arrest the growth of the sheet, suggesting a potential for curtailing amyloid growth. An ONIOM and density functional theory study.Interfacial water at the trialanine hydrophilic surface: a DFT electronic structure and bottom-up investigation.Comprehensive and accurate Ab initio energy surface of simple alanine peptides.
P2860
Q36157020-4E27FBC9-E017-4F67-8092-42FB7766EBD4Q36299528-2188A376-6B66-4276-A0AA-A201C14F9D02Q36431157-198FDFDD-15BB-4872-802E-18FAEFBEFFC2Q36485456-1F3B8290-98B6-4C77-A96A-4062E2359602Q37008866-E37C6503-4E0D-4E05-B59E-3E04AB6A9D37Q38738820-ABFBFEF7-B69F-4FB3-96C8-F16AE6036922Q40844214-8C4F1E2A-E3FD-485A-BBC1-8B054941CAD3Q47806319-472D60F0-D618-45F2-9DE2-E0D731FE9316
P2860
Aqueous solvation of polyalanine α-helices with specific water molecules and with the CPCM and SM5.2 aqueous continuum models using density functional theory
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Aqueous solvation of polyalani ...... sing density functional theory
@ast
Aqueous solvation of polyalani ...... sing density functional theory
@en
type
label
Aqueous solvation of polyalani ...... sing density functional theory
@ast
Aqueous solvation of polyalani ...... sing density functional theory
@en
prefLabel
Aqueous solvation of polyalani ...... sing density functional theory
@ast
Aqueous solvation of polyalani ...... sing density functional theory
@en
P2860
P356
P1476
Aqueous solvation of polyalani ...... sing density functional theory
@en
P2093
J J Dannenberg
P2860
P304
P356
10.1021/JP209177U
P407
P577
2012-01-23T00:00:00Z