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2020 – today
- 2022
[j14]Xavier Daura
, Oscar Conchillo-Solé:
On Quality Thresholds for the Clustering of Molecular Structures. J. Chem. Inf. Model. 62(22): 5738-5745 (2022)- 2021
- [j13]Valentin Junet, Judith Farrés, José M. Mas, Xavier Daura:
CuBlock: a cross-platform normalization method for gene-expression microarrays. Bioinform. 37(16): 2365-2373 (2021) - [j12]Valentin Junet, Xavier Daura:
CNN-PepPred: an open-source tool to create convolutional NN models for the discovery of patterns in peptide sets - application to peptide-MHC class II binding prediction. Bioinform. 37(23): 4567-4568 (2021)
2010 – 2019
- 2015
- [j11]Rafael Zambrano, Oscar Conchillo-Solé, Valentin Iglesias, Ricard Illa, Frederic Rousseau, Joost Schymkowitz, Raimon Sabate, Xavier Daura, Salvador Ventura:
PrionW: a server to identify proteins containing glutamine/asparagine rich prion-like domains and their amyloid cores. Nucleic Acids Res. 43(Webserver-Issue): W331-W337 (2015) - 2014
- [j10]Alejandro Panjkovich, Xavier Daura:
PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites. Bioinform. 30(9): 1314-1315 (2014) - 2013
- [j9]Annalisa Nuccitelli, C. Daniela Rinaudo, Barbara Brogioni, Roberta Cozzi, Mario Ferrer-Navarro, Daniel Yero, John L. Telford, Guido Grandi, Xavier Daura, Martin Zacharias, Domenico Maione:
Understanding the Molecular Determinants Driving the Immunological Specificity of the Protective Pilus 2a Backbone Protein of Group B Streptococcus. PLoS Comput. Biol. 9(6) (2013) - 2012
- [j8]Alejandro Panjkovich, Xavier Daura:
Exploiting protein flexibility to predict the location of allosteric sites. BMC Bioinform. 13: 273 (2012) - 2011
- [j7]Jozica Dolenc, Sereina Riniker, Roberto Gaspari, Xavier Daura, Wilfred F. van Gunsteren:
Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities. J. Comput. Aided Mol. Des. 25(8): 709-716 (2011) - 2010
- [j6]Roman Affentranger, Xavier Daura:
Polypeptide folding on a conformational-space network: Dependence of network topology on the structural discretization procedure. J. Comput. Chem. 31(9): 1889-1903 (2010)
2000 – 2009
- 2007
- [j5]Oscar Conchillo-Solé, Natalia Sanchez de Groot, Francesc X. Avilés, Josep Vendrell, Xavier Daura, Salvador Ventura:
AGGRESCAN: a server for the prediction and evaluation of "hot spots" of aggregation in polypeptides. BMC Bioinform. 8 (2007) - 2003
- [j4]Alice Glättli, Xavier Daura, Wilfred F. van Gunsteren:
A novel approach for designing simple point charge models for liquid water with three interaction sites. J. Comput. Chem. 24(9): 1087-1096 (2003) - 2001
- [j3]Lukas D. Schuler, Xavier Daura, Wilfred F. van Gunsteren:
An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase. J. Comput. Chem. 22(11): 1205-1218 (2001) - 2000
- [j2]Xavier Daura, Eric E. J. Haaksma, Wilfred F. van Gunsteren:
Factor Xa: Simulation studies with an eye to inhibitor design. J. Comput. Aided Mol. Des. 14(6): 507-529 (2000)
1990 – 1999
- 1998
- [j1]Xavier Daura, Alan E. Mark, Wilfred F. van Gunsteren:
Parametrization of aliphatic CHn united atoms of GROMOS96 force field. J. Comput. Chem. 19(5): 535-547 (1998)
Coauthor Index
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