Calculation of relative free energy via indirect pathways
نویسندگان
چکیده
منابع مشابه
Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1
Direct calculation of relative binding affinities between antibodies and antigens is a long-sought goal. However, despite substantial efforts, no generally applicable computational method has been described. Here, we describe a systematic free energy perturbation (FEP) protocol and calculate the binding affinities between the gp120 envelope glycoprotein of HIV-1 and three broadly neutralizing a...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1991
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.459753