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A Formal Approach to Molecular Docking
2006Drugs are small molecules designed to regulate the activity of specific biological receptors. Design new drugs is long and expensive, because modifying the behavior of a receptor may have unpredicted side effects. Two paradigms aim to speed up the drug discovery process: molecular docking estimates if two molecules can bind, to predict unwanted ...
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Use of molecular docking computational tools in drug discovery.
Progress in Medicinal Chemistry, 2021F. Stanzione, I. Giangreco, J. Cole
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An Evolutionary Approach for Molecular Docking
2003We have developed an evolutionary approach for the flexible docking that is now an important component of a rational drug design. This automatic docking tool, referred to as the GEMDOCK (Generic Evolutionary Method for DOCKing molecules), combines both global and local search strategies search mechanisms.
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Online Molecular Docking Resources
2016This chapter aims to present the available online resources that are used for protein modeling with accent to online molecular docking resources. SwissDock, MTiAutoDock, and PatchDock online docking tools are described and a few illustrative examples concerning the molecular docking studies for the cytochrom P450 interactions with the fungicide ...
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Force display in molecular docking
Journal of Molecular Graphics, 1988null Ouh-young +5 more
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