2
TITLE: Unveiling structural determinants for FXR antagonism in 1,3,4-trisubstituted-Pyrazol amide derivatives: A multi-scale in silico modelling approach  Full Text
AUTHORS: Soumya Mitra; Amit Kumar Halder ; Arup Koley; Nilanjan Ghosh; Parthasarathi Panda; Subhash C Mandal; Natália Dias D Soeiro Cordeiro;
PUBLISHED: 2024, SOURCE: Comput. Biol. Medicine, VOLUME: 180
INDEXED IN: Scopus DBLP CrossRef
IN MY: DBLP
3
TITLE: AI Driven Modelling for Hydrogel 3D-Printing: Computational and Experimental Cases of Study
AUTHORS: Harbil Bediaga-Bañeres; Isabel Moreno-Benítez; Sonia Arrasate; Leyre Pérez-Álvarez; Amit K Halder ; Natalia N D S Cordeiro; Humberto González-Díaz; José Luis Vilas-Vilela;
PUBLISHED: 2024
INDEXED IN: CrossRef
IN MY: ORCID
5
TITLE: MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors
AUTHORS: Michael González Durruthy; Silvana Manske Nunes; Juliane Ventura Lima; Marcos A Gelesky; Humberto González Díaz; José Maria Monserrat; Riccardo Concu; Natália Dias D Soeiro Cordeiro;
PUBLISHED: 2019, SOURCE: J. Chem. Inf. Model., VOLUME: 59, ISSUE: 1
INDEXED IN: DBLP
IN MY: DBLP
6
TITLE: Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands
AUTHORS: Daimel Castillo González; Jean Louis Mergny; Aurore De Rache; Gisselle Pérez Machado; Miguel Ángel Cabrera Pérez; Orazio Nicolotti; Antonellina Introcaso; Giuseppe Felice Mangiatordi; Aurore Guédin; Anne Bourdoncle; Teresa M Garrigues; Federico Pallardó; Natália Dias D Soeiro Cordeiro; Cesar Paz y Miño; Eduardo Tejera; Fernanda Borges; Maykel Cruz Monteagudo;
PUBLISHED: 2015, SOURCE: J. Chem. Inf. Model., VOLUME: 55, ISSUE: 10
INDEXED IN: DBLP
IN MY: DBLP
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TITLE: Chemoinformatics in Drug Design. Artificial Neural Networks for Simultaneous Prediction of Anti-enterococci Activities and Toxicological Profiles
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS;
PUBLISHED: 2013, SOURCE: 5th International Joint Conference on Computational Intelligence, ECTA 2013 in IJCCI, VOLUME: 1
INDEXED IN: Scopus DBLP