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Article ID: CBB688998316

Refinamiento de estructuras macromoleculares cristalográficas (2015)

Afonine, Pavel V. (Author)
Urzhumtsev, Alexandre (Author)
Adams, Paul D. (Author)

Arbor: Ciencia, Pensamiento y Cultura
Volume: 191
Issue: 772
Pages: a219

URI: http://arbor.revistas.csic.es/index.php/arbor/article/view/2022

DOI: 10.3989/arbor.2015.772n2005

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ABSTRACT Model refinement is a key step in crystallographic structure determination that ensures final atomic structure of macromolecule represents measured diffraction data as good as possible. Several decades have been put into developing methods and computational tools to streamline this step. In this manuscript we provide a brief overview of major milestones of crystallographic computing and methods development pertinent to structure refinement. RESUMEN El refinamiento es un paso clave en el proceso de determinación de una estructura cristalográfica al garantizar que la estructura atómica de la macromolécula final represente de la mejor manera posible los datos de difracción. Han hecho falta varias décadas para poder desarrollar nuevos métodos y herramientas computacionales dirigidas a dinamizar esta etapa. En este artículo ofrecemos un breve resumen de los principales hitos en la computación cristalográfica y de los nuevos métodos relevantes para el refinamiento de estructuras.

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