Exploring the parameter space of the coa
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Yi He; Yi Xiao; Adam Liwo; Harold A. Scheraga
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Article
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2009
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John Wiley and Sons
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English
⚖ 260 KB
## Abstract We explored the energy‐parameter space of our coarse‐grained UNRES force field for large‐scale __ab initio__ simulations of protein folding, to obtain good initial approximations for hierarchical optimization of the force field with new virtual‐bond‐angle bending and side‐chain‐rotamer