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In the present work, we develop protein coarse grain electrostatic models from electron density distribution functions and molecular electrostatic potentials. The main aspects of this work regard, on the one hand, the elaboration of a procedure for the location, the identification, and the charge determination of the coarse grains and, on the other hand, the validation through applications to protein systems.
|Type||Mémoire - Prix de l'Académie royale de Belgique|
|Publisher||Mémoire - Prix de l'Académie royale de Belgique|
|Number of pages||115|
|Publication status||Unpublished - 2009|
21/01/08 → …