CHARMM additive and polarizable force fields for biophysics and computer-aided drug design
نویسندگان
چکیده
منابع مشابه
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Standard force fields used in biomolecular computing describe electrostatic interactions in terms of fixed, usually atom-centered, charges. Real physical systems, however, polarize substantially when placed in a high-dielectric medium such as water--or even when a strongly charged system approaches a neutral body in the gas phase. Such polarization strongly affects the geometry and energetics o...
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ژورنال
عنوان ژورنال: Biochimica et Biophysica Acta (BBA) - General Subjects
سال: 2015
ISSN: 0304-4165
DOI: 10.1016/j.bbagen.2014.08.004