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Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting.

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第一作者： Daipayan,Sarkar

第一单位： MSU-DOE Plant Research Laboratory, East Lansing, Michigan 48824, United States.;School of Molecular Sciences, Arizona State University, Tempe, Arizona 85281, United States.

作者： Daipayan,Sarkar ^[1] ; Hyungro,Lee ^[2] ; John W,Vant ^[3] ; Matteo,Turilli ^[4] ; Josh V,Vermaas ^[5] ; Shantenu,Jha ^[4] ; Abhishek,Singharoy ^[3]

作者单位： MSU-DOE Plant Research Laboratory, East Lansing, Michigan 48824, United States.;School of Molecular Sciences, Arizona State University, Tempe, Arizona 85281, United States. ^[1] Pacific Northwest National Laboratory, Richland, Washington 99354, United States.;Electrical & Computer Engineering, Rutgers University, New Brunswick, New Jersey 08854, United States. ^[2] School of Molecular Sciences, Arizona State University, Tempe, Arizona 85281, United States. ^[3] Electrical & Computer Engineering, Rutgers University, New Brunswick, New Jersey 08854, United States.;Computational Science Initiative, Brookhaven National Laboratory, Upton, New York 11973, United States. ^[4] MSU-DOE Plant Research Laboratory, East Lansing, Michigan 48824, United States. ^[5]

医学主题词分子动力学模拟(Molecular Dynamics Simulation);冷冻电子显微镜检查(Cryoelectron Microscopy);人工智能(Artificial Intelligence);显微镜检查, 电子(Microscopy, Electron);腺苷酸激酶(Adenylate Kinase)

DOI 10.1021/acs.jcim.3c00350

PMID 37661856

发布时间 2023-09-27

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准确一般字义偏差语意偏离译文作用小提交