Optimizations of Protein Force-Field Parameters with Protein Data Bank
نویسندگان
چکیده
منابع مشابه
Optimization of protein force-field parameters with the Protein Data Bank
We propose a novel method to optimize existing force-field parameters for protein systems. The method consists of minimizing the summation of the square of the force acting on each atom in the proteins with the structures from the Protein Data Bank. We performed this optimization to the partial-charge and torsion-energy parameters of the AMBER parm96 force field, using 100 molecules from the Pr...
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ژورنال
عنوان ژورنال: Seibutsu Butsuri
سال: 2005
ISSN: 0582-4052,1347-4219
DOI: 10.2142/biophys.45.145