Author of the publication

A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations.

, , , , , and . J. Chem. Inf. Model., 61 (7): 3397-3410 (2021)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Graphical Interactive Strategy for the Analysis of NMR Spectra in Liquid Crystalline Phases., , , and . Journal of Chemical Information and Computer Sciences, 34 (3): 539-545 (1994)A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations., , , , , and . J. Chem. Inf. Model., 61 (7): 3397-3410 (2021)Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study., , , , , , and . J. Comput. Chem., 45 (10): 663-670 (April 2024)Newly developed basis sets for density functional calculations., , and . J. Comput. Chem., 26 (2): 175-184 (2005)A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug., , , and . J. Comput. Chem., 41 (4): 290-294 (2020)Structures, binding energies, temperature effects, infrared spectroscopy of Mg(NH3)n = 1-10+ clusters from DFT and MP2 investigations., , , , , , and . J. Comput. Chem., 40 (18): 1707-1717 (2019)On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation., , and . J. Comput. Chem., 25 (7): 994-1003 (2004)Electronic spectra and intersystem spin-orbit coupling in 1, 2- and 1, 3-squaraines., , , , , and . J. Comput. Chem., 35 (29): 2107-2113 (2014)Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method., , and . J. Comput. Chem., 19 (3): 290-299 (1998)Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction., , , , and . J. Comput. Chem., 29 (14): 2406-2415 (2008)