Alanine: Then There Was Water

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Alanine: then there was water.

An ab initio study of the addition of successive water molecules to the amino acid l-alanine in both the nonionized (N) and zwitterionic (Z) forms are presented. The main focus is the number of waters needed to stabilize the Z form and how the solvent affects conformational preference. The solvent is modeled by ab initio electronic structure theory, the EFP (effective fragment potential) model,...

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ژورنال

عنوان ژورنال: The Journal of Physical Chemistry B

سال: 2009

ISSN: 1520-6106,1520-5207

DOI: 10.1021/jp901459y