首页|University of Groningen Reports Findings in Artificial Intelligence (Artificial Intelligence-based Amide-Ⅱ Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics)
University of Groningen Reports Findings in Artificial Intelligence (Artificial Intelligence-based Amide-Ⅱ Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics)
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New research on Artificial Intelligence is the subject of a report. According to news reporting from Groningen, Netherlands, by NewsRx journalists, research stated, “The structurally sensitive amide Ⅱ infrared (IR) bands of proteins provide valuable information about the hydrogen bonding of protein secondary structures, which is crucial for understanding protein dynamics and associated functions. However, deciphering protein structures from experimental amide Ⅱ spectra relies on time-consuming quantum chemical calculations on tens of thousands of representative configurations in solvent water.” The news correspondents obtained a quote from the research from the University of Groningen, “Currently, the accurate simulation of amide Ⅱ spectra for whole proteins remains a challenge. Here, we present a machine learning (ML)-based protocol designed to efficiently simulate the amide Ⅱ IR spectra of various proteins with an accuracy comparable to experimental results. This protocol stands out as a cost-effective and efficient alternative for studying protein dynamics, including the identification of secondary structures and monitoring the dynamics of protein hydrogen bonding under different pH conditions and during protein folding process.”
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