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Geometric molecular surface modeling using mathematical morphology operators. Journal of Molecular Graphics Volume 13, Issue 6, Pages 331-388 (December.

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Presentation on theme: "Geometric molecular surface modeling using mathematical morphology operators. Journal of Molecular Graphics Volume 13, Issue 6, Pages 331-388 (December."— Presentation transcript:

1 Geometric molecular surface modeling using mathematical morphology operators. Journal of Molecular Graphics Volume 13, Issue 6, Pages 331-388 (December 1995) : 331-336. Masato Masuya and Junta Doi

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6 Ri - atom radius van der Waals surface Sv and its interior Iv: Rw - probe radius Solvent Accessible surface and its interior: Molecular surface and its interior:

7 Cavity and Convex Portion Detection

8 C f = SI m ● R Remove small cavities smaller than a water molecule (R w ): C f filled molecule Cavities:

9 P r = SI m ○ R Remove small convex parts (R w ):

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