141
TITLE: From flamingo dance to (desirable) drug discovery: a nature-inspired approach  Full Text
AUTHORS: Aminael Sanchez Rodriguez; Yunierkis Perez Castillo; Stephan C Schurer; Orazio Nicolotti; Giuseppe Felice Mangiatordi; Fernanda Borges ; Natalia N D S Cordeiro ; Eduardo Tejera; Jose L Medina Franco; Maykel Cruz Monteagudo;
PUBLISHED: 2017, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 22, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 27
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142
TITLE: Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands
AUTHORS: Yunierkis Perez Castilloa; Aliuska Morales Helguerab; Natalia N D S Cordeiro ; Eduardo Tejera; Cesar Paz y Mino; Aminael Sanchez Rodriguez; Fernanda Borgesh ; Maykel Cruz Monteagudo;
PUBLISHED: 2017, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 15, ISSUE: 8
INDEXED IN: WOS
143
TITLE: Fusing docking scoring functions improves the virtual screening performance for discovering Parkinson’s disease dual target ligands
AUTHORS: Perez Castillo, Y; Helguera, AM; Cordeiro, MNDS ; Tejera, E; Paz Y Miño, C; Sánchez Rodríguez, A; Borges, F ; Cruz Monteagudo, M;
PUBLISHED: 2017, SOURCE: Current Neuropharmacology, VOLUME: 15, ISSUE: 8
INDEXED IN: Scopus CrossRef: 8
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145
TITLE: Machine Learning Approach to Predict Enzyme Subclasses
AUTHORS: Concu, R ; González Díaz, H; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back
INDEXED IN: Scopus CrossRef
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146
TITLE: Machine learning based multiclassifiers as a neurotoxicity estimation tool for ionic liquids
AUTHORS: Dominguez Lopez, R; Avila de la Cruz, LC; Borges, F; Cordeiro, MNDS ; Paz y Mino, C; Tejera, E; Perez Castillos, Y; Sanchez Rodriguez, A; Perera Sardina, Y; Cruz Monteagudo, M;
PUBLISHED: 2017, SOURCE: AFINIDAD, VOLUME: 74, ISSUE: 578
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147
TITLE: Molecular dynamics simulations and comparison of two new and high selective imprinted xerogels
AUTHORS: Concu, R ; Azenha, M ; Cordeiro, MN ;
PUBLISHED: 2017, SOURCE: Biopolymers for Medical Applications
INDEXED IN: Scopus CrossRef
148
TITLE: Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations
AUTHORS: Chien, SC; Perez Sanchez, G; Gomes, JRB; Cordeiro, MNDS ; Jorge, M; Auerbach, SM; Monson, PA;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 121, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 27
149
TITLE: Nanodesk project: development of a web platform for the selection of the nanoparticles of interest for the plastic industry
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2017, SOURCE: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition
INDEXED IN: CrossRef
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150
TITLE: New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics
AUTHORS: Elisabete S C Ferreira ; Iuliia V Voroshylova ; Volodymyr A Koverga; Carlos M Pereira ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 121, ISSUE: 48
INDEXED IN: Scopus WOS CrossRef: 24
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