Erik Antonio Vázquez-Montelongo

GPU-Accelerated All-Atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

Julie A. Harris, Ruibin Liu, Vinícius M. de Oliveira et al. · Journal of Chemical Theory and Computation · 2022 · 99 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

LICHEM 1.1: Recent Improvements and New Capabilities

Hatice Gökcan, Erik Antonio Vázquez-Montelongo, G. Andrés Cisneros · Journal of Chemical Theory and Computation · 2019 · 44 citations · Full text

Natural Sciences, Computer Science, Computational Chemistry +6

Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF4]

Erik Antonio Vázquez-Montelongo, José Enrique Vázquez-Cervantes, G. Andrés Cisneros · Molecules · 2018 · 17 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

LICHEM 1.1: Recent Improvements and New Capabilities

Hatice Gökcan, Erik Antonio Vázquez-Montelongo, G. Andrés Cisneros · ChemRxiv · 2019 · 17 citations · Full text

Natural Sciences, Computer Science, Computational Chemistry +6

Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition

Yazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang et al. · Journal of Chemical Information and Modeling · 2023 · 14 citations · Full text

Life Sciences, Biochemistry, Medicinal Chemistry +9