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Protein Side Chain Modeling with Orientation Dependent Atomic Force Fields Derived by Series Expansions

We describe the development of new force fields for protein side chain modeling called OSCAR (Optimized Side Chain Atomic eneRgy). The distance-dependent energy functions (OSCAR-d) and side-chain dihedral angle potential energy functions were represented as power and Fourier series, respectively. Th...

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Autors principals: Liang, Shide, Zhou, Yaoqi, Grishin, Nick, Standley, Daron M.
Format: Artigo
Idioma:Inglês
Publicat: 2011
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3072444/
https://ncbi.nlm.nih.gov/pubmed/21374632
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21747
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