Xavier Daura

Publication Activity (10 Years)

Years Active: 1998-2022
Publications (10 Years): 4

Top Topics

Molecular Structures

Normalization Method

Subcellular Localization

Top Venues

J. Chem. Inf. Model.

Nucleic Acids Res.

PLoS Comput. Biol.

Publications

Xavier Daura, Oscar Conchillo-Solé
On Quality Thresholds for the Clustering of Molecular Structures. J. Chem. Inf. Model. 62 (22) (2022)
Valentin Junet, Judith Farrés, José M. Mas, Xavier Daura
CuBlock: a cross-platform normalization method for gene-expression microarrays. Bioinform. 37 (16) (2021)
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) (2021)
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) (2015)
Alejandro Panjkovich, Xavier Daura
PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites. Bioinform. 30 (9) (2014)
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
. PLoS Comput. Biol. 9 (6) (2013)
Alejandro Panjkovich, Xavier Daura
Exploiting protein flexibility to predict the location of allosteric sites. BMC Bioinform. 13 (2012)
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) (2011)
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) (2010)
Oscar Conchillo-Solé, Natalia S. 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)
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) (2003)
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) (2001)
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) (2000)
Xavier Daura, Alan E. Mark, Wilfred F. van Gunsteren
Parametrization of aliphatic CHn united atoms of GROMOS96 force field. J. Comput. Chem. 19 (5) (1998)