From Origin to Current Methods: An Overview of Molecular Modeling Applied to Medicinal Chemistry in the Last 30 Years
Vinícius Rocha,
Carlos Sant'Anna
Abstract:Molecular modeling soon attracted the attention of Medicinal Chemistry researchers, given the importance of molecular structure for understanding the mode of action and for designing bioactive compounds. Computer-assisted drug design (CADD) has become widespread and today big pharmaceutical companies routinely uses it as a support tool in the search for new drugs. Here, it will be addressed the most relevant topics about CADD from the last 30 years, when research groups in Medicinal Chemistry began to explore … Show more
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