Cargando...

Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization

Tautomerization of amino acids between the neutral form (NF) and the zwitterionic form (ZW) in water has been extensively studied, often using glycine as a model to understand this fundamental process. In spite of many advanced studies, the tautomerization reaction remains poorly understood because...

Descrición completa

Gardado en:
Detalles Bibliográficos
Main Authors: Rahaman, Obaidur, van Duin, Adri C.T., Goddard, William A., Doren, Douglas J.
Formato: Artigo
Idioma:Inglês
Publicado: 2010
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3042430/
https://ncbi.nlm.nih.gov/pubmed/21166434
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp108642r
Tags: Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!