Institution: | 1. Instituto de Tecnologia em Fármacos–Farmanguinhos, FioCruz–Fundac?o, Oswaldo Cruz, R. Sizenando Nabuco, 100, Manguinhos, Rio de Janeiro, RJ, 21041-250, Brazil 2. Centre for Computational Physics, Department of Physics, University of Coimbra, Rua Larga, 3004-516, Coimbra, Portugal 3. Department of Chemistry, University of Malaya, 50603, Kuala Lumpur, Malaysia 4. Centro de Desenvolvimento Tecnológico em Saúde (CDTS), Fundac?o Oswaldo Cruz (FIOCRUZ), Casa Amarela, Campus de Manguinhos, Av. Brasil 4365, Rio de Janeiro, RJ, 21040-900, Brazil 5. Department of Chemistry, University of Aberdeen, Old Aberdeen, AB24 3UE, Aberdeen, Scotland 6. CHEMSOL, 1 Harcourt Road, Aberdeen, AB15 5NY, Scotland
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