Predicting allosteric effects from orthosteric binding in Hsp90-ligand interactions : implications for fragment-based drug design

• Main Authors: Chandramohan, Arun, Krishnamurthy, Srinath, Larsson, Andreas, Nordlund, Paer, Jansson, Anna, Anand, Ganesh S.
• Other Authors: Liu, Jin
• Format: Article
• Language: English
• Published: 2018
• Subjects: Orthosteric; DRNTU::Science::Biological sciences; Allosteric
• Online Access: https://hdl.handle.net/10356/89931; http://hdl.handle.net/10220/46439
• Institution: Nanyang Technological University

A key question in mapping dynamics of protein-ligand interactions is to distinguish changes at binding sites from those associated with long range conformational changes upon binding at distal sites. This assumes a greater challenge when considering the interactions of low affinity ligands (dissocia...