Towards dynamic pharmacophore models through the use of coarse grained molecular dynamic simulations
<p>Computer aided drug design (CADD) plays a crucial role in the drug discovery pipeline e.g. in virtual screening of chemical databases, <em>de novo</em> drug design, and lead optimization. Due to the increased numbers of protein structures elucidated, structure-based methods f...
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| Médium: | Diplomová práce |
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2019
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