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Journal Articles
- 2022
[j6]Maryam Abbasi
, Beatriz P. Santos, Tiago C. Pereira, Raul Sofia, Nelson R. C. Monteiro, Carlos J. V. Simões, Rui M. M. Brito, Bernardete Ribeiro, José Luís Oliveira, Joel P. Arrais:
Designing optimized drug candidates with Generative Adversarial Network. J. Cheminformatics 14(1): 40 (2022)- [j5]Maryam Abbasi, Beatriz P. Santos, Tiago C. Pereira, Raul Sofa, Nelson R. C. Monteiro, Carlos J. V. Simões, Rui M. M. Brito, Bernardete Ribeiro, José Luís Oliveira, Joel P. Arrais:
Correction to: Designing optimized drug candidates with Generative Adversarial Network. J. Cheminformatics 14(1): 53 (2022) - 2017
- [j4]Miguel Jorge, Nuno M. Garrido, Carlos J. V. Simões, Cândida G. Silva, Rui M. M. Brito:
Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models. J. Comput. Chem. 38(6): 346-358 (2017) - 2011
- [j3]Rui Camacho, Max Pereira, Vítor Santos Costa, Nuno A. Fonseca, Carlos Adriano Gonçalves, Carlos J. V. Simões, Rui M. M. Brito:
A Relational Learning Approach to Structure-Activity Relationships in Drug Design Toxicity Studies. J. Integr. Bioinform. 8(3) (2011) - 2010
- [j2]Martin T. Swain, Cândida G. Silva, Nuno Loureiro-Ferreira, Vitaliy Ostropytskyy, João Brito, Olivier Riche, Frederic T. Stahl, Werner Dubitzky, Rui M. M. Brito:
P-found: Grid-enabling distributed repositories of protein folding and unfolding simulations for data mining. Future Gener. Comput. Syst. 26(3): 424-433 (2010) - [j1]Carlos J. V. Simões, Trishna Mukherjee, Rui M. M. Brito, Richard M. Jackson:
Toward the Discovery of Functional Transthyretin Amyloid Inhibitors: Application of Virtual Screening Methods. J. Chem. Inf. Model. 50(10): 1806-1820 (2010)
Conference and Workshop Papers
- 2014
- [c13]Cândida G. Silva, Pedro Carreiras, Elsa Henriques, Carlos J. V. Simões, Rui M. M. Brito:
A Machine Learning Approach to Enhance Scoring Performance in Docking-Based Virtual Screening Experiments: COX-1 as a Case Study. IWBBIO 2014: 406-414 - [c12]Joana Sousa, Rui M. M. Brito, Jorge Salvador, Cândida G. Silva:
In Search of Predictive Models for Inhibitors of 5-alpha Reductase 2 Based on the Integration of Bioactivity and Molecular Descriptors Data. IWBBIO 2014: 463-472 - 2011
- [c11]Rui Camacho, Max Pereira, Vítor Santos Costa, Nuno A. Fonseca, Carlos J. V. Simões, Rui M. M. Brito:
Assessing the Effect of 2D Fingerprint Filtering on ILP-Based Structure-Activity Relationships Toxicity Studies in Drug Design. PACBB 2011: 355-363 - 2009
- [c10]Max Pereira, Vítor Santos Costa, Rui Camacho, Nuno A. Fonseca, Carlos J. V. Simões, Rui M. M. Brito:
Comparative Study of Classification Algorithms Using Molecular Descriptors in Toxicological DataBases. BSB 2009: 121-132 - 2008
- [c9]Pedro Gabriel Ferreira, Cândida G. Silva, Paulo J. Azevedo, Rui M. M. Brito:
Spatial Clustering of Molecular Dynamics Trajectories in Protein Unfolding Simulations. CIBB 2008: 156-166 - [c8]Martin T. Swain, Vitaliy Ostropytskyy, Cândida G. Silva, Frederic T. Stahl, Olivier Riche, Rui M. M. Brito, Werner Dubitzky:
Grid Computing Solutions for Distributed Repositories of Protein Folding and Unfolding Simulations. ICCS (3) 2008: 70-79 - [c7]Rui Camacho, Alexessander Alves, Cândida G. Silva, Rui M. M. Brito:
On Mining Protein Unfolding Simulation Data with Inductive Logic Programming. IWPACBB 2008: 175-179 - [c6]Elisabeth Fernandes, Alípio Mário Jorge, Cândida G. Silva, Rui M. M. Brito:
A Knowledge Discovery Method for the Characterization of Protein Unfolding Processes. IWPACBB 2008: 180-188 - 2007
- [c5]Pedro Gabriel Ferreira, Cândida G. Silva, Rui M. M. Brito, Paulo J. Azevedo:
A Closer Look on Protein Unfolding Simulations through Hierarchical Clustering. CIBCB 2007: 461-468 - 2006
- [c4]Cândida G. Silva, Vitaliy Ostropytskyy, Nuno Loureiro-Ferreira, Daniel P. Berrar, Martin T. Swain, Werner Dubitzky, Rui M. M. Brito:
P-found: The Protein Folding and Unfolding Simulation Repository. CIBCB 2006: 1-8 - [c3]Pedro Gabriel Ferreira, Paulo J. Azevedo, Cândida G. Silva, Rui M. M. Brito:
Mining Approximate Motifs in Time Series. Discovery Science 2006: 89-101 - 2005
- [c2]Frederic T. Stahl, Daniel P. Berrar, Cândida G. Silva, R. J. Rodrigues, Rui M. M. Brito, Werner Dubitzky:
Grid warehousing of molecular dynamics protein unfolding data. CCGRID 2005: 496-503 - [c1]Paulo J. Azevedo, Cândida G. Silva, R. J. Rodrigues, Nuno Loureiro-Ferreira, Rui M. M. Brito:
Detection of Hydrophobic Clusters in Molecular Dynamics Protein Unfolding Simulations Using Association Rules. ISBMDA 2005: 329-337
Informal and Other Publications
- 2010
- [i1]Carlos J. V. Simões, Alejandro Rivero, Rui M. M. Brito:
Searching for Anti-Amyloid Drugs with the Help of Citizens: the "AMILOIDE" Project on the IBERCIVIS Platform. ERCIM News 2010(82): 25 (2010)
Coauthor Index
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