Articles with "grained geometry" as a keyword



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ESCASA: Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance‐assisted protein structure modeling. I. Backbone and Hβ protons

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Published in 2021 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26695

Abstract: A method for the estimation of coordinates of atoms in proteins from coarse‐grained geometry by simple analytical formulas (ESCASA), for use in nuclear‐magnetic‐resonance (NMR) data‐assisted coarse‐grained simulations of proteins is proposed. In this paper, the… read more here.

Keywords: estimation; nuclear magnetic; magnetic resonance; geometry ... See more keywords