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Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.

Luan Carvalho MartinsPedro Henrique Monteiro TorresRenata Barbosa de OliveiraPedro Geraldo PascuttiElio A. CinoRafaela Salgado Ferreira
Published in: J. Comput. Aided Mol. Des. (2018)
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