How to cite this software

GPathFinder is scientific software, funded by public research grants (Spanish MINECO’s project CTQ2017-87889-P, and Generalitat de Catalunya’s project 2017SGR1323)

GaudiMM, root development over GPathFinder is built, is also scientific software, funded by public research grants (Spanish MINECO’s project CTQ2014-54071-P, Generalitat de Catalunya’s project 2014SGR989 and research grant 2015FI_B00768, COST Action CM1306).

If you make use of GPathFinder in scientific publications, please cite our article in IJMS. GaudiMM has also its own article in JCC. It will help measure the impact of our research and future funding!

@article {IJMS:ijms20133155,
    author = {Sánchez-Aparicio, José-Emilio and Sciortino, Giuseppe and Viladrich Herrmannsdoerfer, Daniel and Orenes Chueca, Pablo and Rodríguez-Guerra Pedregal, Jaime and Maréchal, Jean-Didier},
    title = {GPathFinder: identification of ligand binding pathways by a multi-objective genetic algorithm},
    journal = {International Journal of Molecular Sciences},
    volume = {20},
    number = {13},
    issn = {1422-0067},
    url = {https://www.mdpi.com/1422-0067/20/13/3155},
    doi = {https://doi.org/10.3390/ijms20133155 },
    pages = {3155},
    keywords = {multi-objective genetic algorithm, molecular modeling, ligand diffusion, computational chemistry, molecular docking, drug design},
    year = {2019},
}

@article {JCC:JCC24847,
    author = {Rodríguez-Guerra Pedregal, Jaime and Sciortino, Giuseppe and Guasp, Jordi and Municoy, Martí and Maréchal, Jean-Didier},
    title = {GaudiMM: A modular multi-objective platform for molecular modeling},
    journal = {Journal of Computational Chemistry},
    volume = {38},
    number = {24},
    issn = {1096-987X},
    url = {http://dx.doi.org/10.1002/jcc.24847},
    doi = {10.1002/jcc.24847},
    pages = {2118--2126},
    keywords = {molecular modeling, protein-ligand docking, multi-objective optimization, genetic algorithms, metallopeptides},
    year = {2017},
}