Accelerated Molecular Dynamics Simulations of Protein Folding
نویسندگان
چکیده
منابع مشابه
Protein Folding Properties from Molecular Dynamics Simulations
Our understanding of protein folding has improved tremendously due to computer simulations of molecular dynamics (MD), but determining protein folding kinetics and thermodynamics from all-atom MD simulations without using experimental data still represents a formidable scientific challenge. Simulations can easily get trapped in local minima on rough free energy landscapes and folding events may...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2016
ISSN: 0192-8651
DOI: 10.1002/jcc.24337