Xavier Daura - researchr alias

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Viewing Publication 1 - 14 from 14

2022

On Quality Thresholds for the Clustering of Molecular StructuresXavier Daura, Oscar Conchillo-Solé. jcisd, 62(22):5738-5745, 2022. [doi]

2021

CuBlock: a cross-platform normalization method for gene-expression microarraysValentin Junet, Judith Farrés, José M. Mas, Xavier Daura. bioinformatics, 37(16):2365-2373, 2021. [doi]

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 predictionValentin Junet, Xavier Daura. bioinformatics, 37(23):4567-4568, 2021. [doi]

2015

PrionW: a server to identify proteins containing glutamine/asparagine rich prion-like domains and their amyloid coresRafael Zambrano, Oscar Conchillo-Solé, Valentin Iglesias, Ricard Illa, Frederic Rousseau, Joost Schymkowitz, Raimon Sabate, Xavier Daura, Salvador Ventura. nar, 43(Webserver-Issue), 2015. [doi]

2014

PARS: a web server for the prediction of Protein Allosteric and Regulatory SitesAlejandro Panjkovich, Xavier Daura. bioinformatics, 30(9):1314-1315, 2014. [doi]

2013

StreptococcusAnnalisa Nuccitelli, C. Daniela Rinaudo, Barbara Brogioni, Roberta Cozzi, Mario Ferrer-Navarro, Daniel Yero, John L. Telford, Guido Grandi, Xavier Daura, Martin Zacharias, Domenico Maione. ploscb, 9(6), 2013. [doi]

2012

Exploiting protein flexibility to predict the location of allosteric sitesAlejandro Panjkovich, Xavier Daura. bmcbi, 13:273, 2012. [doi]

2011

Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinitiesJozica Dolenc, Sereina Riniker, Roberto Gaspari, Xavier Daura, Wilfred F. van Gunsteren. jcamd, 25(8):709-716, 2011. [doi]

2010

Polypeptide folding on a conformational-space network: Dependence of network topology on the structural discretization procedureRoman Affentranger, Xavier Daura. jcc, 31(9):1889-1903, 2010. [doi]

2007

AGGRESCAN: a server for the prediction and evaluation of hot spots of aggregation in polypeptidesOscar Conchillo-Solé, Natalia S. de Groot, Francesc X. Avilés, Josep Vendrell, Xavier Daura, Salvador Ventura. bmcbi, 8, 2007. [doi]

2003

A novel approach for designing simple point charge models for liquid water with three interaction sitesAlice Glättli, Xavier Daura, Wilfred F. van Gunsteren. jcc, 24(9):1087-1096, 2003. [doi]

2001

An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phaseLukas D. Schuler, Xavier Daura, Wilfred F. van Gunsteren. jcc, 22(11):1205-1218, 2001. [doi]

2000

Factor Xa: Simulation studies with an eye to inhibitor designXavier Daura, Eric Haaksma, Wilfred F. van Gunsteren. jcamd, 14(6):507-529, 2000. [doi]

1998

Parametrization of aliphatic CHn united atoms of GROMOS96 force fieldXavier Daura, Alan E. Mark, Wilfred F. van Gunsteren. jcc, 19(5):535-547, 1998. [doi]

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