Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation

Author:

Wan Shunzhou1,Bhati Agastya P.1,Skerratt Sarah2,Omoto Kiyoyuki3,Shanmugasundaram Veerabahu4,Bagal Sharan K.2,Coveney Peter V.1ORCID

Affiliation:

1. Centre for Computational Science, Department of Chemistry, University College London, London WC1H 0AJ, United Kingdom

2. Pfizer Global R&D, The Portway Building, Granta Park, Cambridge CB21 6GS, United Kingdom

3. Pfizer Worldwide Research and Development, 610 Main Street, Cambridge, Massachusetts 02139, United States

4. Pfizer Worldwide Research and Development, Groton Laboratories, Groton, Connecticut 06340, United States

Funder

Engineering and Physical Sciences Research Council

Medical Research Council

Qatar National Research Fund

Horizon 2020 Framework Programme

President and Provost's Office, University College London

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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