Browsing C3 - Centro de Ciências Computacionais by Author "Schroeder, Evelyn Koeche"
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FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection
Machado, Karina dos Santos; Schroeder, Evelyn Koeche; Ruiz, Duncan Dubugras Alcoba; Cohen, Elisangela Machado Leal; Souza, Osmar Norberto de (2011)Background: In silico molecular docking is an essential step in modern drug discovery when driven by a well defined macromolecular target. Hence, the process is called structure-based or rational drug design (RDD). In ...