Computer Science
Listando 4 trabajos del autor/autora 37
Lista de trabajos en el área Computer Science
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ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications
Rodriguez-Guerra Pedregal, Jaime; Gomez-Orellana, Pablo; Marechal, Jean-Didier
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2018)
DOI /
10.1021/acs.jcim.7b00714
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26
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2
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BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization
Sanchez-Aparicio, Jose-Emilio; Tiessler-Sala, Laura; Velasco-Carneros, Lorea; Roldan-Martin, Lorena; Sciortino, Giuseppe; Marechal, Jean-Didier
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2021)
DOI /
10.1021/acs.jcim.0c00827
Green submitted
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15
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Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6](12-) Supramolecular Organometallic Cage
Norjmaa, Gantulga; Vidossich, Pietro; Marechal, Jean-Didier; Ujaque, Gregori
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2021)
DOI /
10.1021/acs.jcim.1c00348
Hybrid, Green published
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PyChimera: use UCSF Chimera modules in any Python 2.7 project
Rodriguez-Guerra Pedregal, Jaime; Marechal, Jean-Didier
BIOINFORMATICS
1367-4803 (2018)
DOI /
10.1093/bioinformatics/bty021
Bronze
