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Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry
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Characterizing hydration sites in protein-ligand complexes towards the design of novel ligands

Hans Matter1, Stefan Güssregen1

  • 1Sanofi-Aventis Deutschland GmbH, Integrated Drug Discovery (IDD), Synthetic Molecular Design, Building G838, Industriepark Höchst, 65926 Frankfurt am Main, Germany.

Bioorganic & Medicinal Chemistry Letters
|June 9, 2018
PubMed

Keywords:
3D RISMComputer-aided drug designHydration sitesStructure-based designWaterMap

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