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ORCIDBibTeX records: Julio Caballero
@article{DBLP:journals/bioinformatics/Platero-Rochart22,
author = {Daniel Platero{-}Rochart and
Roy Gonz{\'{a}}lez{-}Alem{\'{a}}n and
Erix Wiliam Hern{\'{a}}ndez{-}Rodr{\'{\i}}guez and
Fabrice Leclerc and
Julio Caballero and
Luis Alberto Montero{-}Cabrera},
title = {RCDPeaks: memory-efficient density peaks clustering of long molecular
dynamics},
journal = {Bioinform.},
volume = {38},
number = {7},
pages = {1863--1869},
year = {2022},
url = {https://doi.org/10.1093/bioinformatics/btac021},
doi = {10.1093/BIOINFORMATICS/BTAC021},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/bioinformatics/Platero-Rochart22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/GonzalezAlemanPRHCLM22,
author = {Roy Gonz{\'{a}}lez{-}Alem{\'{a}}n and
Daniel Platero{-}Rochart and
Alejandro Rodr{\'{\i}}guez{-}Serradet and
Erix Wiliam Hern{\'{a}}ndez{-}Rodr{\'{\i}}guez and
Julio Caballero and
Fabrice Leclerc and
Luis Alberto Montero{-}Cabrera},
title = {{MDSCAN:} RMSD-based {HDBSCAN} clustering of long molecular dynamics},
journal = {Bioinform.},
volume = {38},
number = {23},
pages = {5191--5198},
year = {2022},
url = {https://doi.org/10.1093/bioinformatics/btac666},
doi = {10.1093/BIOINFORMATICS/BTAC666},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/bioinformatics/GonzalezAlemanPRHCLM22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/Gonzalez-Aleman21,
author = {Roy Gonz{\'{a}}lez{-}Alem{\'{a}}n and
Daniel Platero{-}Rochart and
David Hern{\'{a}}ndez{-}Castillo and
Erix Wiliam Hern{\'{a}}ndez{-}Rodr{\'{\i}}guez and
Julio Caballero and
Fabrice Leclerc and
Luis Alberto Montero{-}Cabrera},
title = {BitQT: a graph-based approach to the quality threshold clustering
of molecular dynamics},
journal = {Bioinform.},
volume = {38},
number = {1},
pages = {73--79},
year = {2021},
url = {https://doi.org/10.1093/bioinformatics/btab595},
doi = {10.1093/BIOINFORMATICS/BTAB595},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/bioinformatics/Gonzalez-Aleman21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Adasme-CarrenoC21,
author = {Francisco Adasme{-}Carre{\~{n}}o and
Julio Caballero and
Joel Ireta},
title = {{PSIQUE:} Protein Secondary Structure Identification on the Basis
of Quaternions and Electronic Structure Calculations},
journal = {J. Chem. Inf. Model.},
volume = {61},
number = {4},
pages = {1789--1800},
year = {2021},
url = {https://doi.org/10.1021/acs.jcim.0c01343},
doi = {10.1021/ACS.JCIM.0C01343},
timestamp = {Sun, 16 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Adasme-CarrenoC21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/Velazquez-Libera20,
author = {Jos{\'{e}} Luis Vel{\'{a}}zquez{-}Libera and
Fabio Dur{\'{a}}n{-}Verdugo and
Alejandro Vald{\'{e}}s{-}Jim{\'{e}}nez and
Gabriel N{\'{u}}{\~{n}}ez{-}Vivanco and
Julio Caballero},
title = {LigRMSD: a web server for automatic structure matching and {RMSD}
calculations among identical and similar compounds in protein-ligand
docking},
journal = {Bioinform.},
volume = {36},
number = {9},
pages = {2912--2914},
year = {2020},
url = {https://doi.org/10.1093/bioinformatics/btaa018},
doi = {10.1093/BIOINFORMATICS/BTAA018},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/bioinformatics/Velazquez-Libera20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Hernandez-Rodriguez20,
author = {Erix Wiliam Hern{\'{a}}ndez{-}Rodr{\'{\i}}guez and
Andr{\'{e}}s M. Escorcia and
Marc van der Kamp and
Ana Lilian Montero{-}Alejo and
Julio Caballero},
title = {Multi-scale simulation reveals that an amino acid substitution increases
photosensitizing reaction inputs in Rhodopsins},
journal = {J. Comput. Chem.},
volume = {41},
number = {26},
pages = {2278--2295},
year = {2020},
url = {https://doi.org/10.1002/jcc.26392},
doi = {10.1002/JCC.26392},
timestamp = {Fri, 25 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcc/Hernandez-Rodriguez20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Gonzalez-Aleman20,
author = {Roy Gonz{\'{a}}lez{-}Alem{\'{a}}n and
David Hern{\'{a}}ndez{-}Castillo and
Alejandro Rodr{\'{\i}}guez{-}Serradet and
Julio Caballero and
Erix Wiliam Hern{\'{a}}ndez{-}Rodr{\'{\i}}guez and
Luis Alberto Montero{-}Cabrera},
title = {BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {2},
pages = {444--448},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.9b00828},
doi = {10.1021/ACS.JCIM.9B00828},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Gonzalez-Aleman20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Gonzalez-Aleman20a,
author = {Roy Gonz{\'{a}}lez{-}Alem{\'{a}}n and
David Hern{\'{a}}ndez{-}Castillo and
Julio Caballero and
Luis Alberto Montero{-}Cabrera},
title = {Quality Threshold Clustering of Molecular Dynamics: {A} Word of Caution},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {2},
pages = {467--472},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.9b00558},
doi = {10.1021/ACS.JCIM.9B00558},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Gonzalez-Aleman20a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/RossinoOCSWRRGC20,
author = {Giacomo Rossino and
Ivana Orellana and
Julio Caballero and
Dirk Schepmann and
Bernhard W{\"{u}}nsch and
Marta Rui and
Daniela Rossi and
Mariela Gonz{\'{a}}lez{-}Avenda{\~{n}}o and
Simona Collina and
Ariela Vergara Jaque},
title = {New Insights into the Opening of the Occluded Ligand-Binding Pocket
of Sigma1 Receptor: Binding of a Novel Bivalent {RC-33} Derivative},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {2},
pages = {756--765},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.9b00649},
doi = {10.1021/ACS.JCIM.9B00649},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/RossinoOCSWRRGC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KleinCCTCAP20,
author = {Florencia Klein and
Daniela C{\'{a}}ceres and
M{\'{o}}nica A. Carrasco and
Juan Carlos Tapia and
Julio Caballero and
Jans H. Alzate{-}Morales and
Sergio Pantano},
title = {Coarse-Grained Parameters for Divalent Cations within the {SIRAH}
Force Field},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {8},
pages = {3935--3943},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00160},
doi = {10.1021/ACS.JCIM.0C00160},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KleinCCTCAP20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/CaballeroMN18,
author = {Julio Caballero and
Alejandro Morales{-}Bayuelo and
Carlos Navarro{-}Retamal},
title = {Mycobacterium tuberculosis serine/threonine protein kinases: structural
information for the design of their specific ATP-competitive inhibitors},
journal = {J. Comput. Aided Mol. Des.},
volume = {32},
number = {12},
pages = {1315--1336},
year = {2018},
url = {https://doi.org/10.1007/s10822-018-0173-3},
doi = {10.1007/S10822-018-0173-3},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/CaballeroMN18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Mena-UleciaGVPT18,
author = {Karel Mena{-}Ulecia and
Fabian Gonzalez{-}Norambuena and
Ariela Vergara Jaque and
Horacio Poblete and
William Tiznado and
Julio Caballero},
title = {Study of the affinity between the protein kinase {PKA} and homoarginine-containing
peptides derived from kemptide: Free energy perturbation {(FEP)} calculations},
journal = {J. Comput. Chem.},
volume = {39},
number = {16},
pages = {986--992},
year = {2018},
url = {https://doi.org/10.1002/jcc.25176},
doi = {10.1002/JCC.25176},
timestamp = {Mon, 05 Feb 2024 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcc/Mena-UleciaGVPT18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SharmaEPDSCC16,
author = {Rajni K. Sharma and
Marlene Espinoza{-}Moraga and
Horacio Poblete and
Ross G. Douglas and
Edward D. Sturrock and
Julio Caballero and
Kelly Chibale},
title = {The Dynamic Nonprime Binding of Sampatrilat to the C-Domain of Angiotensin-Converting
Enzyme},
journal = {J. Chem. Inf. Model.},
volume = {56},
number = {12},
pages = {2486--2494},
year = {2016},
url = {https://doi.org/10.1021/acs.jcim.6b00524},
doi = {10.1021/ACS.JCIM.6B00524},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/SharmaEPDSCC16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Espinoza-MoragaNMCC13,
author = {Marlene Espinoza{-}Moraga and
Nicholas M. Njuguna and
Grace Mugumbate and
Julio Caballero and
Kelly Chibale},
title = {In silico Comparison of Antimycobacterial Natural Products with Known
Antituberculosis Drugs},
journal = {J. Chem. Inf. Model.},
volume = {53},
number = {3},
pages = {649--660},
year = {2013},
url = {https://doi.org/10.1021/ci300467b},
doi = {10.1021/CI300467B},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Espinoza-MoragaNMCC13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/CaballeroQAZD11,
author = {Julio Caballero and
Miguel Quiliano and
Jans H. Alzate{-}Morales and
Mirko Zimic and
Eric Deharo},
title = {Docking and quantitative structure-activity relationship studies for
3-fluoro-4-(pyrrolo[2, 1-\emph{f}][1, 2, 4]triazin-4-yloxy)aniline,
3-fluoro-4-(1H-pyrrolo[2, 3-b]pyridin-4-yloxy)aniline, and 4-(4-amino-2-fluorophenoxy)-2-pyridinylamine
derivatives as c-Met kinase inhibitors},
journal = {J. Comput. Aided Mol. Des.},
volume = {25},
number = {4},
pages = {349--369},
year = {2011},
url = {https://doi.org/10.1007/s10822-011-9425-1},
doi = {10.1007/S10822-011-9425-1},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/CaballeroQAZD11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/CaballeroAJ11,
author = {Julio Caballero and
Jans H. Alzate{-}Morales and
Ariela Vergara Jaque},
title = {Investigation of the Differences in Activity between Hydroxycycloalkyl
{N1} Substituted Pyrazole Derivatives As Inhibitors of B-Raf Kinase
by Using Docking, Molecular Dynamics, QM/MM, and Fragment-Based \emph{De
Novo} Design: Study of Binding Mode of Diastereomer Compounds},
journal = {J. Chem. Inf. Model.},
volume = {51},
number = {11},
pages = {2920--2931},
year = {2011},
url = {https://doi.org/10.1021/ci200306w},
doi = {10.1021/CI200306W},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/CaballeroAJ11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Alzate-MoralesC10,
author = {Jans H. Alzate{-}Morales and
Julio Caballero},
title = {Computational Study of the Interactions between Guanine Derivatives
and Cyclin-Dependent Kinase 2 {(CDK2)} by CoMFA and {QM/MM}},
journal = {J. Chem. Inf. Model.},
volume = {50},
number = {1},
pages = {110--122},
year = {2010},
url = {https://doi.org/10.1021/ci900302z},
doi = {10.1021/CI900302Z},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/Alzate-MoralesC10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Alzate-MoralesJC10,
author = {Jans H. Alzate{-}Morales and
Ariela Vergara Jaque and
Julio Caballero},
title = {Computational Study on the Interaction of {N1} Substituted Pyrazole
Derivatives with B-Raf Kinase: An Unusual Water Wire Hydrogen-Bond
Network and Novel Interactions at the Entrance of the Active Site},
journal = {J. Chem. Inf. Model.},
volume = {50},
number = {6},
pages = {1101--1112},
year = {2010},
url = {https://doi.org/10.1021/ci100049h},
doi = {10.1021/CI100049H},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/Alzate-MoralesJC10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Alzate-MoralesCJN09,
author = {Jans H. Alzate{-}Morales and
Julio Caballero and
Ariela Vergara Jaque and
Fernando D. Gonz{\'{a}}lez Nilo},
title = {Insights into the Structural Basis of {N2} and {O6} Substituted Guanine
Derivatives as Cyclin-Dependent Kinase 2 {(CDK2)} Inhibitors: Prediction
of the Binding Modes and Potency of the inhibitors by Docking and
{ONIOM} Calculations},
journal = {J. Chem. Inf. Model.},
volume = {49},
number = {4},
pages = {886--899},
year = {2009},
url = {https://doi.org/10.1021/ci8004034},
doi = {10.1021/CI8004034},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/Alzate-MoralesCJN09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/CaballeroFAF06,
author = {Julio Caballero and
Leyden Fern{\'{a}}ndez and
Jos{\'{e}} Ignacio Abreu and
Michael Fern{\'{a}}ndez},
title = {Amino Acid Sequence Autocorrelation Vectors and Ensembles of Bayesian-Regularized
Genetic Neural Networks for Prediction of Conformational Stability
of Human Lysozyme Mutants},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {3},
pages = {1255--1268},
year = {2006},
url = {https://doi.org/10.1021/ci050507z},
doi = {10.1021/CI050507Z},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/CaballeroFAF06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/CaballeroGF05,
author = {Julio Caballero and
Miguel Garriga and
Michael Fern{\'{a}}ndez},
title = {Genetic neural network modeling of the selective inhibition of the
intermediate-conductance Ca\({}^{\mbox{2+}}\)-activated K\({}^{\mbox{+
}}\)channel by some triarylmethanes using topological charge indexes
descriptors},
journal = {J. Comput. Aided Mol. Des.},
volume = {19},
number = {11},
pages = {771--789},
year = {2005},
url = {https://doi.org/10.1007/s10822-005-9025-z},
doi = {10.1007/S10822-005-9025-Z},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/CaballeroGF05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/FernandezTC05,
author = {Michael Fern{\'{a}}ndez and
Alain Tundidor{-}Camba and
Julio Caballero},
title = {Modeling of Cyclin-Dependent Kinase Inhibition by 1\emph{H}-Pyrazolo[3,
4-\emph{d}]Pyrimidine Derivatives Using Artificial Neural Network
Ensembles},
journal = {J. Chem. Inf. Model.},
volume = {45},
number = {6},
pages = {1884--1895},
year = {2005},
url = {https://doi.org/10.1021/ci050263i},
doi = {10.1021/CI050263I},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/FernandezTC05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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