Fast accurate evaluation of protein solvent exposure

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Fast accurate evaluation of protein solvent exposure.

Protein solvation energies are often taken to be proportional to solvent-accessible surface areas. Computation of these areas is numerically demanding and may become a bottleneck for folding and design applications. Fast graph-based methods, such as dead-end elimination (DEE), become possible if all energies, including solvation energies, are expressed as single-residue and pair-residue terms. ...

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ژورنال

عنوان ژورنال: Proteins: Structure, Function, and Bioinformatics

سال: 2004

ISSN: 0887-3585

DOI: 10.1002/prot.20191