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Updated: Feb 3, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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从基于表面指纹的几何深度学习和分子动力学模拟中解码蛋白质-膜结合接口

ByungUk Park1, Reid C Van Lehn1,2

  • 1Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.

Journal of chemical information and modeling
|February 2, 2026
PubMed
概括

很难预测蛋白质如何与膜相互作用. 一个新的深度学习模型,MaSIF-PMP,使用分子表面特征准确地识别蛋白质界面结合位 (IBS),改善了对外围膜蛋白 (PMP) 的预测.

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