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The Journal of Chemical Physics|September 18, 2007
Potential energy surfaces and Jahn-Teller effect on CH4...NO complexesRachel Crespo-Otero, Reynier Suardiaz, Luis Alberto Montero, et al.The Journal of Chemical Physics|October 15, 2005
Basis set superposition error in MP2 and density-functional theory: a case of methane-nitric oxide associationRachel Crespo-Otero, Luis Alberto Montero, Wolf-Dieter Stohrer, et al.In Silico Pharmacology|June 15, 2026
IGF-1 receptor ATP-competitive inhibitors for the treatment of Ewing sarcoma: a comprehensive virtual screening analysis for a dataset of molecules showing a wide range of chemical structuresValentina Guaitoli, Yoanna María Alvarez-Ginarte, Luis Alberto Montero-Cabrera, et al.Journal of Molecular Graphics & Modelling|November 18, 2008
A theoretical approach to the solvation of brassinosteroidsCercis Morera-Boado, Esther Alonso-Becerra, Raúl González-Jonte, et al.The Journal of Physical Chemistry. B|December 1, 2011
Understanding rhodopsin mutations linked to the retinitis pigmentosa disease: a QM/MM and DFT/MRCI studyErix Wiliam Hernández-Rodríguez, Elsa Sánchez-García, Rachel Crespo-Otero, et al.Journal of Molecular Modeling|August 5, 2020
A computational strategy to understand structure-activity relationship of 1,3-disubstituted imidazole [1,5-α] pyrazine derivatives described as ATP competitive inhibitors of the IGF-1 receptor related to Ewing sarcomaValentina Guaitoli, Yoanna María Alvarez-Ginarte, Luis Alberto Montero-Cabrera, et al.Journal of Chemical Information and Modeling|February 28, 2020
Theoretical Evaluation of the Molecular Inclusion Process between Chlordecone and Cyclodextrins: A New Method for Mitigating the Basis Set Superposition Error in the Case of an Implicit Solvation ModelJuan José Gamboa-Carballo, Anthuan Ferino-Pérez, Vijay Kumar Rana, et al.Journal of Computational Chemistry|August 29, 2013
Electron density deformations provide new insights into the spectral shift of rhodopsinsErix Wiliam Hernández-Rodríguez, Ana Lilian Montero-Alejo, Rafael López, et al.The Journal of Steroid Biochemistry and Molecular Biology|April 26, 2011
Anabolic and androgenic activities of 19-nor-testosterone steroids: QSAR study using quantum and physicochemical molecular descriptorsYoanna María Alvarez-Ginarte, Luis Alberto Montero-Cabrera, José Manuel García de la Vega, et al.The Journal of Chemical Physics|October 16, 2007
CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphineLuis Alberto Montero-Cabrera, Ute Röhrig, Juan A Padrón-Garcia, et al.Pageof 2