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TITLE: Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A(2A) Adenosine Receptor Antagonists/Monoamine Oxidase B Inhibitors
AUTHORS: Aliuska M Morales Helguera; Yunierkis Perez Castillo; Natalia N D S Cordeiro ; Eduardo Tejera; Cesar Paz y Mino; Aminael Sanchez Rodriguez; Marta Teijeira; Evys Ancede Gallardo; Fernando Cagide ; Fernanda Borges ; Maykel Cruz Monteagudo;
PUBLISHED: 2016, SOURCE: CURRENT PHARMACEUTICAL DESIGN, VOLUME: 22, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 11
14
TITLE: Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms
AUTHORS: Oscar Martínez-Santiago; Yovani Marrero-Ponce; Stephen Barigye; Huong Le Thi Thu; Torres, F; Cesar Zambrano; Jorge Muñiz Olite; Maykel Cruz-Monteagudo; Ricardo Vivas-Reyes; Liliana Vázquez Infante; Luis Artiles Martínez;
PUBLISHED: 2016, SOURCE: International Journal of Molecular Sciences, VOLUME: 17, ISSUE: 6
INDEXED IN: CrossRef: 7
IN MY: ORCID
15
TITLE: Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands  Full Text
AUTHORS: Daimel Castillo Gonzalez; Jean Louis Mergny; Aurore De Rache; Gisselle Perez Machado; Miguel A Angel Cabrera Perez; Orazio Nicolotti; Antonellina Introcaso; Giuseppe Felice Mangiatordi; Aurore Guedin; Anne Bourdoncle; Teresa Garrigues; Federico Pallardo; Natalia N D S Cordeiro ; Cesar Paz y Mino; Eduardo Tejera; Fernanda Borges ; Maykel Cruz Monteagudo;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 55, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 16
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TITLE: Unravelling the relationship between protein sequence and low-complexity regions entropies: Interactome implications  Full Text
AUTHORS: Martins, F ; Goncalves, R ; Oliveira, J; Cruz Monteagudo, M; Nieto Villar, JM; Paz y Mino, C; Rebelo, I ; Tejera, E;
PUBLISHED: 2015, SOURCE: JOURNAL OF THEORETICAL BIOLOGY, VOLUME: 382
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
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TITLE: Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?  Full Text
AUTHORS: Yunierkis Perez Castillo; Maykel Cruz Monteagudo; Cosmin Lazar; Jonatan Taminau; Mathy Froeyen; Miguel A Angel Cabrera Perez; Ann Nowe;
PUBLISHED: 2014, SOURCE: MOLECULAR DIVERSITY, VOLUME: 18, ISSUE: 3
INDEXED IN: Scopus WOS
IN MY: ORCID
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TITLE: Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?  Full Text
AUTHORS: Maykel Cruz Monteagudo; Jose L Medina Francos; Yunierkis Perez Castillo; Orazio Nicolotti; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2014, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 19, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 135
IN MY: ORCID
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TITLE: Provisional Classification and in Silico Study of Biopharmaceutical System Based on Caco-2 Cell Permeability and Dose Number  Full Text
AUTHORS: Hai, PT; Teresa Garrigues; Marival Bermejo; Isabel Gonzalez Avarez; Maikel C Cruz Monteagudo; Miguel A Angel Cabrera Perez;
PUBLISHED: 2013, SOURCE: MOLECULAR PHARMACEUTICS, VOLUME: 10, ISSUE: 6
INDEXED IN: Scopus WOS
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