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1. 1. Computational Modeling of Macrocycles and Structure-Based Design of Novel Antibacterial Compounds

   Författare :Gustav Olanders; Anders Karlén; Peter Brandt; Christian Sköld; Dan Sindhikara; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; macrocycles; docking; conformational sampling; conformational prefer-ences; antibiotics;

   Sammanfattning : The integration of computational methods into the drug discovery process provides valuable tools to help advance new and improved drugs into the clinic. As medicinal chemists explore novel targets and new areas of chemical space, our computational toolkit must also evolve. LÄS MER