Hydrogen bond dynamics and conformational flexibility in antipsychotics

Author:

Pereira Jose E. M.1234ORCID,Eckert Juergen56789ORCID,Rudic Svemir1011121314ORCID,Yu Dehong15161718,Mole Richard15161718,Tsapatsaris Nikolaos123419,Bordallo Heloisa N.123419ORCID

Affiliation:

1. The Niels Bohr Institute

2. University of Copenhagen

3. Copenhagen

4. Denmark

5. Department of Chemistry and Biochemistry

6. Texas Tech University

7. Lubbock

8. USA

9. Theoretical Division

10. ISIS Facility

11. STFC

12. Rutherford Appleton Laboratory

13. Didcot OX11 0QX

14. UK

15. Australian Center for Neutron Scattering

16. Australian Nuclear Science and Technology Organization

17. Lucas Heights

18. Australia

19. European Spallation Source ESS ERIC

Abstract

Deciphering the dynamics of bioactive molecules using neutron spectroscopy to assist in the prediction of binding affinities.

Funder

U.S. Department of Energy

Carlsbergfondet

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Styrelsen for Forskning og Innovation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference51 articles.

1. Antipsychotic Drugs Market Size & Share|Industry Report, 2014–2025, http://www.grandviewresearch.com/industry-analysis/antipsychotic-drugs-market , (accessed 20 November 2017)

2. Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone

3. G protein-coupled receptors in major psychiatric disorders

4. Bioanalytical methods for the determination of antipsychotic drugs

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