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Maria Natália Dias Soeiro Cordeiro

AuthID: R-000-CE0

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Confirmed Publications: 419

11

TITLE: Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy Full Text
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING

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12

TITLE: In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design Full Text
AUTHORS: Sar, Shuvam; Mitra, Soumya; Panda, Parthasarathi; Mandal, Subhash C.; Ghosh, Nilanjan; Halder, Amit Kumar ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 17

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13

TITLE: Long-range communication between transmembrane- and nucleotide-binding domains does not depend on drug binding to mutant P-glycoprotein
AUTHORS: Bonito, Catia A.; Ferreira, Ricardo J.; Ferreira, Maria Jose U.; Gillet, Jean Pierre; Cordeiro, M. Natalia D. S. ; dos Santos, Daniel J. V. A.;
PUBLISHED: 2023, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 41, ISSUE: 23

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14

TITLE: Molecular simulations of interfacial systems: challenges, applications and future perspectives Full Text
AUTHORS: Lbadaoui Darvas, M; Garberoglio, G; Karadima, KS; Cordeiro, MNDS ; Nenes, A; Takahama, S;
PUBLISHED: 2023, SOURCE: MOLECULAR SIMULATION, VOLUME: 49, ISSUE: 12

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15

TITLE: MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions Full Text
AUTHORS: Concu, Riccardo ; Cordeiro, Maria Natalia Dias Soeiro ; Perez Perez, Martin; Fdez Riverola, Florentino;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 3

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16

TITLE: Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD
AUTHORS: Mitra, Soumya; Halder, Amit Kumar ; Ghosh, Nilanjan; Mandal, Subhash C.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: COMPUTERS IN BIOLOGY AND MEDICINE, VOLUME: 157

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17

TITLE: Optimizing drug discovery using multitasking models for quantitative structure-biological effect relationships: an update of the literature
AUTHORS: Kleandrova, Valeria V.; Cordeiro, M. Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2023, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 18, ISSUE: 11

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18

TITLE: Predicting the ecotoxicity of endocrine disruptive chemicals: Multitasking in silico approaches towards global models Full Text
AUTHORS: Halder, Amit Kumar ; Moura, Ana S. ; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: SCIENCE OF THE TOTAL ENVIRONMENT, VOLUME: 889

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19

TITLE: Probing the Allosteric Modulation of P-Glycoprotein: A Medicinal Chemistry Approach Toward the Identification of Noncompetitive P-Gp Inhibitors
AUTHORS: Bonito, Catia A.; Ferreira, Ricardo J.; Ferreira, Maria Jose. U.; Duraes, Fernando; Sousa, Emilia ; Gillet, Jean Pierre; Cordeiro, M. Natalia D. S. ; dos Santos, Daniel J. V. A.;
PUBLISHED: 2023, SOURCE: ACS OMEGA, VOLUME: 8, ISSUE: 12

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20

TITLE: Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations Full Text
AUTHORS: Malaspina, Thaciana; V. Voroshylova, Iuliia ; Cordeiro, M. Natalia D. S. ; Fileti, Eudes Eterno;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 390

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