Sergio Madurga

Peptide data mining: from virtual design to knowledge extraction

Xavier Llorà, Ivan Traus, Ernest Giralt, 2006, GECCO.

ENPDA: an evolutionary structure-based de novo peptide design algorithm

Xavier Llorà, Ernesto Nicolás, Ernest Giralt, 2005, J. Comput. Aided Mol. Des..

Fuzzy partitioning of clinical data for DMT2 patients

Vasil Simeonov, Miroslava Nedyalkova, Sergio Madurga, 2020, Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering.

Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles

Sergio Madurga, Pablo M. Blanco, Mireia Via, 2017, Entropy.

Evolutionary computation and multimodal search: A good combination to tackle molecular diversity in the field of peptide design

Xavier Llorà, Ernest Giralt, Ignasi Belda, 2007, Molecular Diversity.

Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air

Vasil Simeonov, Marek Tobiszewski, Sergio Madurga, 2019, J. Chem. Inf. Model..

Effect of crowding by Dextrans in enzymatic reactions.

Laura Pitulice, Sergio Madurga, Marta Cascante, 2014, Biophysical chemistry.

Disruption of the HIV-1 protease dimer with interface peptides: structural studies using NMR spectroscopy combined with [2-(13)C]-Trp selective labeling.

Ernest Giralt, Sergio Madurga, Ricard A Rodriguez-Mias, 2007, Biopolymers.

Design of enhanced agonists through the use of a new virtual screening method: Application to peptides that bind class I major histocompatibility complex (MHC) molecules

Xavier Llorà, Ernest Giralt, Ignasi Belda, 2005, Protein science : a publication of the Protein Society.

Explicit Treatment of Water Molecules in Protein-Ligand Docking

Ernest Giralt, Ignasi Belda, Sergio Madurga, 2009 .