2003Methods and principles in medicinal chemistryRequires access

Hydrogen Bonds in Protein‐Ligand Complexes

Mark A. Williams, John E. Ladbury

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Abstract

Introduction The Importance of Hydrogen Bonds Defining the Hydrogen Bond Physical Character of Hydrogen Bonds Crystallographic Studies of Hydrogen Bonds The Geometry of Hydrogen Bonds Infrared Spectroscopy of Hydrogen Bonds NMR Studies of Hydrogen Bonds Thermodynamics of Hydrogen Bonding Experimental Thermodynamics of Biomolecular Hydrogen Bonds Interactions with Water Bulk and Surface Water Molecules Buried Water Molecules Hydrogen Bonds in Drug Design Diverse Effects of Hydrogen Bonding on Drug Properties Optimizing Inhibitor Affinity Computational Tools for Hydrogen Bond Analysis and Design Conclusion References

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Introduction The Importance of Hydrogen Bonds Defining the Hydrogen Bond Physical Character of Hydrogen Bonds Crystallographic Studies of Hydrogen Bonds The Geometry of Hydrogen Bonds Infrared Spectroscopy of Hydrogen Bonds NMR Studies of Hydrogen Bonds Thermodynamics of Hydrogen Bonding Experimental Thermodynamics of Biomolecular Hydrogen Bonds Interactions with Water Bulk and Surface Water Molecules Buried Water Molecules Hydrogen Bonds in Drug Design Diverse Effects of Hydrogen Bonding on Drug Properties Optimizing Inhibitor Affinity Computational Tools for Hydrogen Bond Analysis and Design Conclusion References

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Available abstract

Introduction The Importance of Hydrogen Bonds Defining the Hydrogen Bond Physical Character of Hydrogen Bonds Crystallographic Studies of Hydrogen Bonds The Geometry of Hydrogen Bonds Infrared Spectroscopy of Hydrogen Bonds NMR Studies of Hydrogen Bonds Thermodynamics of Hydrogen Bonding Experimental Thermodynamics of Biomolecular Hydrogen Bonds Interactions with Water Bulk and Surface Water Molecules Buried Water Molecules Hydrogen Bonds in Drug Design Diverse Effects of Hydrogen Bonding on Drug Properties Optimizing Inhibitor Affinity Computational Tools for Hydrogen Bond Analysis and Design Conclusion References

Key concepts: Hydrogen bond, Low-barrier hydrogen bond, Molecule, Chemistry, Hydrogen, Chemical bond, Crystallography, Ligand (biochemistry)

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