GAME: A computer graphics method for calculating and displaying the molecular electrostatic potential |
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| Affiliation: | 1. I.I. Mechnikov Odessa National University, Odessa 65082, Ukraine;2. SSI “Institute for Single Crystals”, National Academy of Sciences of Ukraine, Nauki Ave 60, Kharkiv 61001, Ukraine;3. V.N. Karazin Kharkiv National University, 4 Svobody sq, Kharkiv 61077, Ukraine;4. Zabolotny Institute of Microbiology and Virology, National Academy of Sciences of Ukraine Akademika Zabolotnoho St., 154, Kyiv 03143, Ukraine |
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| Abstract: | A new method for calculating and displaying the molecular electrostatic potential on the molecular surface is described. The main advantage of the method, besides some others, is its consistency. This means one only needs one data set for the surface and the MEP: a 3D field of the electron density from any source. |
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