Gneimosim: Multiscale Internal Coordinates Molecular Dynamics for Proteins
نویسندگان
چکیده
منابع مشابه
Internal Coordinate Molecular Dynamics: A Foundation for Multiscale Dynamics
Internal coordinates such as bond lengths, bond angles, and torsion angles (BAT) are natural coordinates for describing a bonded molecular system. However, the molecular dynamics (MD) simulation methods that are widely used for proteins, DNA, and polymers are based on Cartesian coordinates owing to the mathematical simplicity of the equations of motion. However, constraints are often needed wit...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2016
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2015.11.3429