Xavier Daura

Orcid: 0000-0001-9235-6730

According to our database1, Xavier Daura authored at least 14 papers between 1998 and 2022.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2022
On Quality Thresholds for the Clustering of Molecular Structures.
J. Chem. Inf. Model., 2022

2021
CuBlock: a cross-platform normalization method for gene-expression microarrays.
Bioinform., 2021

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., 2021

2015
PrionW: a server to identify proteins containing glutamine/asparagine rich prion-like domains and their amyloid cores.
Nucleic Acids Res., 2015

2014
PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites.
Bioinform., 2014

2013
Understanding the Molecular Determinants Driving the Immunological Specificity of the Protective Pilus 2a Backbone Protein of Group B <i>Streptococcus</i>.
PLoS Comput. Biol., 2013

2012
Exploiting protein flexibility to predict the location of allosteric sites.
BMC Bioinform., 2012

2011
Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities.
J. Comput. Aided Mol. Des., 2011

2010
Polypeptide folding on a conformational-space network: Dependence of network topology on the structural discretization procedure.
J. Comput. Chem., 2010

2007
AGGRESCAN: a server for the prediction and evaluation of "hot spots" of aggregation in polypeptides.
BMC Bioinform., 2007

2003
A novel approach for designing simple point charge models for liquid water with three interaction sites.
J. Comput. Chem., 2003

2001
An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase.
J. Comput. Chem., 2001

2000
Factor Xa: Simulation studies with an eye to inhibitor design.
J. Comput. Aided Mol. Des., 2000

1998
Parametrization of aliphatic CHn united atoms of GROMOS96 force field.
J. Comput. Chem., 1998


  Loading...