Development of a Force Field Model that Correctly Handles Hydrogen Bond Formation, which is Important for Protein Structure Formation and Function—Significant Impact on Drug Discovery and Development through a Computational Science Approach—

November 21, 2017

Keio University

Senior Assistant Professor Tomotaka Oroguchi and Professor Masayoshi Nakasako of the Department of Physics, Faculty of Science and Technology, Keio University, have for the first time developed a force field model that can correctly handle hydrogen bonds, which play an important role in protein structure formation and function, based on experimental data on the distribution patterns of hydration water molecules on protein molecular surfaces. This force field model is expected to be used not only in the field of protein science but also in the field of drug discovery. The details of this research were published in the Nature Publishing Group's scientific journal "Scientific Reports" (online publication) on November 20, 2017 (UK time).

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