Prediction of protein-protein binding free energies.
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ABSTRACT:
SUBMITTER: Vreven T
PROVIDER: S-EPMC3375440 | biostudies-literature | 2012 Mar
REPOSITORIES: biostudies-literature
Publications
Prediction of protein-protein binding free energies.
Vreven Thom T Hwang Howook H Pierce Brian G BG Weng Zhiping Z
Protein science : a publication of the Protein Society 20120202 3
We present an energy function for predicting binding free energies of protein-protein complexes, using the three-dimensional structures of the complex and unbound proteins as input. Our function is a linear combination of nine terms and achieves a correlation coefficient of 0.63 with experimental measurements when tested on a benchmark of 144 complexes using leave-one-out cross validation. Although we systematically tested both atomic and residue-based scoring functions, the selected function is ...[more]
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