Free energy perturbation studies on binding of A-74704 and its diester analog to HIV-1 protease
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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: "Protein Engineering, Design and Selection"
سال: 1996
ISSN: 1741-0126,1741-0134
DOI: 10.1093/protein/9.9.767