Chanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics

Chanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics

Morphological analysis of protein channels is a key step for a thorough understanding of their biological function and mechanism. In this respect, molecular dynamics (MD) is a very powerful tool, enabling the description of relevant biological events at the atomic level, which might elude experiment...

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Bibliographic Details
Main Authors: Andrea Raffo, Luca Gagliardi, Ulderico Fugacci, Luca Sagresti, Simone Grandinetti, Giuseppe Brancato, Silvia Biasotti, Walter Rocchia
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-07-01
Series:Frontiers in Molecular Biosciences
Subjects:
channel and pore characterization
computational geometry
molecular surface
molecular dynamics
skeletonization
alpha shapes theory
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2022.933924/full

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https://www.frontiersin.org/articles/10.3389/fmolb.2022.933924/full

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