Molecular Dynamics Simulations Suggest That Side-Chain Motions of Charged Amino Acids Determine Long-Range Effects in Proteins: An Egg of Coulomb

Neri Niccolai, Edoardo Morandi, Andrea Bernini · 2024

Read Molecular Dynamics Simulations Suggest That Side-Chain Motions of Charged Amino Acids Determine Long-Range Effects in Proteins: An Egg of Coulomb by Neri Niccolai, Edoardo Morandi, Andrea Bernini (2024) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-12381767.txt.

Description

Neri Niccolai, Edoardo Morandi, and Andrea Bernini published a simulation study in two thousand twenty-four on long-range electric effects inside proteins. Proteins must find their partners in crowded cells without random luck. The authors propose that surface charges, arranged in clusters, broadcast electromagnetic signals.

Molecular dynamics simulations on two very different proteins, small human ubiquitin and a large insect enzyme, tracked charged side chains moving in concert. Their motions create charge proximities that could guide recognition at a distance. The authors frame protein electrodynamics as a lens on long-range interaction. They suggest the findings could steer design of proteins with programmed recognition patterns.

Catalog record

CREATORNeri Niccolai, Edoardo Morandi, Andrea Bernini
YEAR2024
COLLECTIONPAPERS
FORMATTXT
FILE SIZE21 KB
VERSION1.0
LICENSECC BY 4.0
RIGHTSCC BY
SOURCEEurope PMC

Source: https://europepmc.org/articles/PMC12381767

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