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Updated: Jul 12, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
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化学的に多様な分子相互作用の正確な表現のために,力場とニューラルネットワークを組み合わせる

Alexey Illarionov1, Serzhan Sakipov1, Leonid Pereyaslavets1

  • 1InterX Inc. (a Subsidiary of NeoTX Therapeutics Ltd.), 805 Allston Way, Berkeley, California 94710, United States.

Journal of the American Chemical Society
|October 19, 2023
PubMed
まとめ

この研究は,力場とニューラルネットワークを組み合わせた ハイブリッド分子モデリングアプローチを導入します. この方法は,様々な分子システムの量子力学的エネルギーを正確に予測し,計算速度と精度を向上させます.

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