Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory

• Anthony J. Davolio,
• Wojciech J. Jankowski,
• Csilla Várnai,
• Benedict W. J. Irwin,
• Michael C. Payne,
• Pak-Lee Chau

Affiliations

Anthony J. Davolio

Theory of Condensed Matter Group, Department of Physics, University of Cambridge, Cambridge, U.K.

Wojciech J. Jankowski

Theory of Condensed Matter Group, Department of Physics, University of Cambridge, Cambridge, U.K.

Csilla Várnai

Centre for Computational Biology, University of Birmingham, Birmingham, U.K.

Benedict W. J. Irwin

Theory of Condensed Matter Group, Department of Physics, University of Cambridge, Cambridge, U.K.

Michael C. Payne

Theory of Condensed Matter Group, Department of Physics, University of Cambridge, Cambridge, U.K.

Pak-Lee Chau

Bioinformatique Structurale, Institut Pasteur, CNRS URA 3528, Paris, France