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TITLE: Development of Multi-Target Chemometric Models for the Inhibition of Class I PI3K Enzyme Isoforms: A Case Study Using QSAR-Co Tool  Full Text
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 20, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 17
IN MY: ORCID
93
TITLE: Distance Angle Descriptors of the Interionic and Ion-Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study
AUTHORS: Koverga, VA; Smortsova, Y; Miannay, FA; Kalugin, ON; Takamuku, T; Jedlovszky, P; Marekha, B; Cordeiro, MNDS ; Idrissi, A;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 123, ISSUE: 28
INDEXED IN: Scopus WOS CrossRef: 13
IN MY: ORCID
94
TITLE: Dynamical Rearrangement of Human Epidermal Growth Factor Receptor 2 upon Antibody Binding: Effects on the Dimerization  Full Text
AUTHORS: Magalhaes, PR; Machuqueiro, M; Almeida, JG; Melo, A ; Cordeiro, MNDS ; Verde, SC; Gumus, ZH; Moreira, IS; Correia, JDG; Melo, R;
PUBLISHED: 2019, SOURCE: BIOMOLECULES, VOLUME: 9, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
95
TITLE: Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity
AUTHORS: Caballero Alfonso, AY; Cruz Monteagudo, M; Tejera, E; Benfenati, E; Borges, F ; Cordeiro, MNDS ; Armijos Jaramillo, V; Perez Castillo, Y;
PUBLISHED: 2019, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 19, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 8
IN MY: ORCID
96
TITLE: From biomedicinal to in silico models and back to therapeutics: a review on the advancement of peptidic modeling
AUTHORS: Ana S Moura ; Amit K Halder; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: FUTURE MEDICINAL CHEMISTRY, VOLUME: 11, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
97
TITLE: Improving Vibrational Mode Interpretation Using Bayesian Regression  Full Text
AUTHORS: Filipe Teixeira ; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 15, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 36
98
TITLE: Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study  Full Text
AUTHORS: Nádia M. Figueiredo ; Voroshylova, IV ; Koverga, VA; Ferreira, ESC ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 294
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
99
TITLE: Local structure and hydrogen bonding in liquid gamma-butyrolactone and propylene carbonate: A molecular dynamics simulation  Full Text
AUTHORS: Koverga, VA; Voroshylova, IV ; Smortsova, Y; Miannay, FA; Cordeiro, MNDS ; Idrissi, A; Kalugin, ON;
PUBLISHED: 2019, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 287
INDEXED IN: Scopus WOS CrossRef: 16
IN MY: ORCID
100
TITLE: MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondria! F0F1-ATPase Inhibitors  Full Text
AUTHORS: Michael Gonzalez Durruthy ; Silvana Manske Nunes; Juliane Ventura Lima; Marcos A Gelesky; Humberto Gonzalez Diaz; Jose M Monserrat; Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 11
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