Sebastian A. Andujar

Publication Activity (10 Years)

Years Active: 2012-2020
Publications (10 Years): 2

Top Topics

Molecular Dynamics Simulations

Biologically Relevant

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

Rodrigo D. Tosso, Oscar Parravicini, M. Natalia C. Zarycz, Emilio Angelina, Marcela Vettorazzi, Nelida Peruchena, Sebastian A. Andujar, Ricardo D. Enriz
Conformational and electronic study of dopamine interacting with the D2 dopamine receptor. J. Comput. Chem. 41 (21) (2020)
Marcela Vettorazzi, Cintia Menéndez, Lucas Gutierrez, Sebastian A. Andujar, Gustavo Appignanesi, Ricardo D. Enriz
Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis. J. Comput. Aided Mol. Des. 32 (7) (2018)
Rodrigo D. Tosso, Sebastian A. Andujar, Lucas Gutierrez, Emilio Angelina, Ricaurte Rodríguez, Manuel Nogueras, Héctor A. Baldoni, Fernando D. Suvire, Justo Cobo, Ricardo D. Enriz
Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dynamics Simulations, Quantum Mechanical Calculations, and Experimental Corroboration. J. Chem. Inf. Model. 53 (8) (2013)
Sebastian A. Andujar, Rodrigo D. Tosso, Fernando D. Suvire, Emilio Angelina, Nelida Peruchena, Nuria Cabedo, Diego Cortes, Ricardo D. Enriz
Searching the "Biologically Relevant"Conformation of Dopamine: A Computational Approach. J. Chem. Inf. Model. 52 (1) (2012)