Measurement, Interpretation and Use of Free Ligand Solution Conformations in Drug Discovery

Charles D Blundell; Thorsten Nowak; Martin J Watson

doi:10.1016/bs.pmch.2015.10.003

Measurement, Interpretation and Use of Free Ligand Solution Conformations in Drug Discovery

Prog Med Chem. 2016:55:45-147. doi: 10.1016/bs.pmch.2015.10.003. Epub 2016 Jan 14.

Authors

Charles D Blundell¹, Thorsten Nowak¹, Martin J Watson¹

Affiliation

¹ C4X Discovery Ltd, Manchester One, Manchester, United Kingdom.

PMID: 26852934
DOI: 10.1016/bs.pmch.2015.10.003

No abstract available

Keywords: Cambridge Structural Database; Conformation; Conformational analysis; Conformational design; Conformational preference; Conformational selection; Conformer; Conformetrics; Ligand-based drug design; Nuclear magnetic resonance; Protein Data Bank; Rational drug design; Stereoelectronic effect; Torsional preferences.

Publication types

Review

MeSH terms

Drug Discovery*
Hydrogen Bonding
Ligands
Magnetic Resonance Spectroscopy
Molecular Conformation*
Solutions

Substances

Ligands
Solutions