Modified Fast Multipole Method for Coarse-Grained Molecular Simulations
نویسندگان
چکیده
منابع مشابه
Coarse-grained molecular simulations of allosteric cooperativity.
Interactions between a protein and a ligand are often accompanied by a redistribution of the population of thermally accessible conformations. This dynamic response of the protein's functional energy landscape enables a protein to modulate binding affinities and control binding sensitivity to ligand concentration. In this paper, we investigate the structural origins of binding affinity and allo...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2014
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2013.11.2293