How to model solvation of peptides? Insights from a quantum-mechanical and molecular dynamics study of N-methylacetamide. 1. Geometries, infrared, and ultraviolet spectra in water.
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Reconciliation of chemical, enzymatic, spectroscopic and computational data to assign the absolute configuration of the DNA base lesion spiroiminodihydantoin.How amide hydrogens exchange in native proteinsPhotosensitized effects of Rose Bengal on structure and function of lens protein "alpha-crystallin".Quantum mechanical studies on model alpha-pleated sheets.A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water.Asequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-pi* transition of acrolein in water.Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework.Polarizable continuum modelFluorescence and phosphorescence of acetone in neat liquid and aqueous solution studied by QM/MM and PCM approachesThe Simulation of UV-Vis Spectroscopy with Computational MethodsSolvent polarity scales revisited: a ZINDO-PCM study of the solvatochromism of betaine-30UNDERSTANDING DIFFERENT LCST LEVELS OF POLY(N-ALKYLACRYLAMIDE)S BY MOLECULAR DYNAMICS SIMULATIONS AND QUANTUM MECHANICS CALCULATIONS
P2860
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P2860
How to model solvation of peptides? Insights from a quantum-mechanical and molecular dynamics study of N-methylacetamide. 1. Geometries, infrared, and ultraviolet spectra in water.
description
2005 nî lūn-bûn
@nan
2005 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
How to model solvation of pept ...... ultraviolet spectra in water.
@ast
How to model solvation of pept ...... ultraviolet spectra in water.
@en
type
label
How to model solvation of pept ...... ultraviolet spectra in water.
@ast
How to model solvation of pept ...... ultraviolet spectra in water.
@en
prefLabel
How to model solvation of pept ...... ultraviolet spectra in water.
@ast
How to model solvation of pept ...... ultraviolet spectra in water.
@en
P356
P1476
How to model solvation of pept ...... ultraviolet spectra in water.
@en
P2093
José M Martínez
P304
P356
10.1021/JP050034Z
P407
P577
2005-05-01T00:00:00Z