Modeling Gd<sup>3+</sup> Complexes for Molecular Dynamics Simulations: Toward a Rational Optimization of MRI Contrast Agents-Reference-Cited by-同舟云学术

Modeling Gd³⁺ Complexes for Molecular Dynamics Simulations: Toward a Rational Optimization of MRI Contrast Agents

Published:2022-07-18 Issue:30 Volume:61 Page:11837-11858
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Oliveira Alexandre C.¹²^ORCID,Filipe Hugo A. L.¹³^ORCID,Ramalho João P. Prates⁴,Salvador Armindo¹⁵⁶,Geraldes Carlos F. G. C.¹⁷⁸^ORCID,Moreno Maria João¹²^ORCID,Loura Luís M. S.¹⁹^ORCID

Affiliation:

1. Coimbra Chemistry Center - Institute of Molecular Sciences (CQC-IMS), University of Coimbra, 3004-535 Coimbra, Portugal

2. Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal

3. CPIRN-IPG-Center of Potential and Innovation of Natural Resources, Polytechnic Institute of Guarda, 6300-559 Guarda, Portugal

4. Hercules Laboratory, LAQV, REQUIMTE, Department of Chemistry, School of Science and Technology, University of Évora, 7000-671 Évora, Portugal

5. CNC−Center for Neuroscience and Cell Biology, University of Coimbra, P-3004-517 Coimbra, Portugal

6. Institute for Interdisciplinary Research - University of Coimbra, Casa Costa Alemão- Polo II, Rua D. Francisco de Lemos, 3030-789 Coimbra, Portugal

7. Department of Life Sciences, University of Coimbra, Calçada Martim de Freitas, 3000-393 Coimbra, Portugal

8. CIBIT/ICNAS - Instituto de Ciências Nucleares Aplicadas à Saúde, Pólo das Ciências da Saúde, Azinhaga de Santa Comba, 3000-548 Coimbra, Portugal

9. Faculty of Pharmacy, University of Coimbra, 3000-548 Coimbra, Portugal

Funder

Programa Operacional Regional do Centro

Funda??o para a Ci?ncia e a Tecnologia

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.2c01597