Antipsychotic Haloperidol Binding to the Human Dopamine D3 Receptor: Beyond Docking Through QM/MM Refinement Toward the Design of Improved Schizophrenia Medicines

Author:

Zanatta Geancarlo1,Nunes Gustavo1,Bezerra Eveline M.2,da Costa Roner F.3,Martins Alice2,Caetano Ewerton W. S.4,Freire Valder N.5,Gottfried Carmem1

Affiliation:

1. Department of Biochemistry, Federal University of Rio Grande do Sul, 90035-003 Porto Alegre, RS Brazil

2. Post-graduate Program in Pharmaceutical Sciences, Pharmacy Faculty, Federal University of Ceará, 60430-372 Fortaleza, CE Brazil

3. Department of Physics, Universidade Federal Rural do Semi-Árido, 59780-000 Caraúbas, RN Brazil

4. Federal Institute of Education, Science and Technology, 60040-531 Fortaleza, CE Brazil

5. Department of Physics, Federal University of Ceará, 60455-760 Fortaleza, CE Brazil

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Centro Nacional de Processamento de Alto Desempenho, Universidade Federal do Ceará

Publisher

American Chemical Society (ACS)

Subject

Cell Biology,Cognitive Neuroscience,Physiology,Biochemistry,General Medicine

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