G-RMSD: Root Mean Square Deviation Based Method for Three-dimensional Molecular Similarity Determination,Bulletin of the Chemical Society of Japan

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G-RMSD: Root Mean Square Deviation Based Method for Three-dimensional Molecular Similarity Determination
Bulletin of the Chemical Society of Japan ( IF 3.3 ) Pub Date : 2020-10-24 , DOI: 10.1246/bcsj.20200258
Tomonori Fukutani ₁ , Kohei Miyazawa ₁ , Satoru Iwata ₁ , Hiroko Satoh _{2,

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Affiliation

We present the Generalized Root Mean Square Deviation (G-RMSD) method. G-RMSD is an optimization method to calculate the minimal RMSD value of two atomic structures by optimal superimposition. G-RM...

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