mol2sphere: spherical decomposition of multi-domain molecules for visualization and coarse grained spatial modeling
نویسندگان
چکیده
منابع مشابه
Coarse-grained interaction potentials for anisotropic molecules.
We have proposed an efficient parametrization method for a recent variant of the Gay Berne potential for dissimilar and biaxial particles [Phys. Rev. E 67, 041710 (2003)] and demonstrated it for a set of small organic molecules. Compared with the previously proposed coarse-grained models, the new potential exhibits a superior performance in close contact and large distant interactions. The repe...
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ژورنال
عنوان ژورنال: Bioinformatics
سال: 2018
ISSN: 1367-4803,1460-2059
DOI: 10.1093/bioinformatics/bty487