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- W2344622021 endingPage "20" @default.
- W2344622021 startingPage "7" @default.
- W2344622021 abstract "Due to the synergic relationship between medical chemistry, bioinformatics and molecular simulation, the development of new accurate computational tools for small molecules drug design has been rising over the last years. The main result is the increased number of publications where computational techniques such as molecular docking, de novo design as well as virtual screening have been used to estimate the binding mode, site and energy of novel small molecules. In this work I review some tools, which enable the study of biological systems at the atomistic level, providing relevant information and thereby, enhancing the process of rational drug design." @default.
- W2344622021 created "2016-06-24" @default.
- W2344622021 creator A5046962908 @default.
- W2344622021 date "2016-04-26" @default.
- W2344622021 modified "2023-10-02" @default.
- W2344622021 title "Computational Methods Applied to Rational Drug Design" @default.
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- W2344622021 doi "https://doi.org/10.2174/1874104501610010007" @default.