Characterizing Hydropathy of Amino Acid Side Chain in a Protein Environment by Investigating the Structural Changes of Water Molecules Network

Assessing the hydropathy properties of molecules, like proteins and chemical compounds, has a crucial role in many fields of computational biology, such as drug design, biomolecular interaction, and folding prediction. Over the past decades, many descriptors were devised to evaluate the hydrophobici...

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Bibliographic Details
Main Authors: Lorenzo Di Rienzo, Mattia Miotto, Leonardo Bò, Giancarlo Ruocco, Domenico Raimondo, Edoardo Milanetti
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-02-01
Series:Frontiers in Molecular Biosciences
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2021.626837/full