Protein Structure Refinement via Molecular Dynamics Simulations
نویسندگان
چکیده
منابع مشابه
Local Protein Structure Refinement via Molecular Dynamics Simulations with locPREFMD
A method for the local refinement of protein structures that targets improvements in local stereochemistry while preserving the overall fold is presented. The method uses force field-based minimization and sampling via molecular dynamics simulations with a modified force field to bring bonds, angles, and torsion angles into an acceptable range for high-resolution protein structures. The method ...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2018
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2017.11.3143