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TITLE: Advanced chemometric modeling approaches for the design of multitarget drugs against neurodegenerative diseases
AUTHORS: Halder, AK ; Moura, AS ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: Methods in Pharmacology and Toxicology
INDEXED IN: Scopus CrossRef: 3
IN MY: ORCID
82
TITLE: Alignment-Free Method to Predict Enzyme Classes and Subclasses  Full Text
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 20, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 18
IN MY: ORCID
83
TITLE: CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring  Full Text
AUTHORS: Yunierkis Perez Castillo; Stellamaris Sotomayor Burneo; Karina Jimenes Vargas; Mario Gonzalez Rodriguez; Maykel Cruz Monteagudo; Vinicio Armijos Jaramillo; Natalia N D S Cordeiro ; Fernanda Borges ; Aminael Sanchez Rodriguez; Eduardo Tejera;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 9
INDEXED IN: Scopus WOS
IN MY: ORCID
84
TITLE: CompScore: boosting structure-based virtual screening performance by incorporating docking scoring functions components into consensus scoring
AUTHORS: Yunierkis Perez-Castillo; Stellamaris Sotomayor-Burneo; Karina Jimenes-Vargas; Mario Gonzalez-Rodriguez; Maykel Cruz-Monteagudo; Vinicio Armijos-Jaramillo; Natália N D S Cordeiro ; Fernanda Borges ; Aminael Sánchez-Rodríguez; Eduardo Tejera;
PUBLISHED: 2019
INDEXED IN: CrossRef
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85
86
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
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87
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
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88
TITLE: Dynamical Rearrangement of Human Epidermal Growth Factor Receptor 2 upon Antibody Binding: Effects on the Dimerization
AUTHORS: Magalhães, ; Machuqueiro, ; Almeida, ; Melo, ; D. S. Cordeiro, ; Verde, ; Gümüş, ; Moreira, ; D. G. Correia, ; Melo, ;
PUBLISHED: 2019, SOURCE: Biomolecules, VOLUME: 9, ISSUE: 11
INDEXED IN: CrossRef: 6
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90
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
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