Polarizable water molecules in ligand-macromolecule recognition. Impact on the relative affinities of competing pyrrolopyrimidine inhibitors for FAK kinase.

B. de Courcy; J. P. Piquemal; C. Garbay; N. Gresh

Polarizable water molecules in ligand-macromolecule recognition. Impact on the relative affinities of competing pyrrolopyrimidine inhibitors for FAK kinase.

B. de Courcy J. P. Piquemal C. Garbay N. Gresh

Document type :

Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

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https://hal.archives-ouvertes.fr/hal-00494585
Contributor : Nohad Gresh <>
Submitted on : Wednesday, June 23, 2010 - 4:04:14 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:13 AM

Polarizable water molecules in ligand-macromolecule recognition. Impact on the relative affinities of competing pyrrolopyrimidine inhibitors for FAK kinase.

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Polarizable water molecules in ligand-macromolecule recognition. Impact on the relative affinities of competing pyrrolopyrimidine inhibitors for FAK kinase.

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