Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields
نویسندگان
چکیده
منابع مشابه
Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields
The description of aggregation processes with molecular dynamics simulations is a playground for testing biomolecular force fields, including a new generation of force fields that explicitly describe electronic polarization. In this work, we study a system consisting of 50 glycyl-l-alanine (Gly-Ala) dipeptides in solution with 1001 water molecules. Neutron diffraction experiments have shown tha...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2014
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct401049q