Flexible Fitting of Biomolecular Structures to Atomic Force Microscopy Images via Biased Molecular Simulations
نویسندگان
چکیده
منابع مشابه
Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics.
A novel method to flexibly fit atomic structures into electron microscopy (EM) maps using molecular dynamics simulations is presented. The simulations incorporate the EM data as an external potential added to the molecular dynamics force field, allowing all internal features present in the EM map to be used in the fitting process, while the model remains fully flexible and stereochemically corr...
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Microscopy Toshio Ando,*,†,‡,§ Takayuki Uchihashi,†,‡,§ and Simon Scheuring †Department of Physics, and ‡Bio-AFM Frontier Research Center, Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi 332-0012, Japan U1006 INSERM/Aix-Marseille Universite,́ Parc Scientifique et Technologique de Luminy Bat̂iment Inserm TPR2 bloc 5, 1...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2020
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.9b00991