| Three-dimensional catalysis and the efficient bioelectrocatalysis beyond surface chemistry LJA Macedo, AAE Santo, GC Sedenho, A Hassan, RM Iost, GT Feliciano, ... Journal of Catalysis 401, 200-205, 2021 | 13 | 2021 |
| Molecular dynamics investigation of the structural and energetic properties of CeO 2–MO x (M= Gd, La, Ce, Zr) nanoparticles JPA De Mendonca, TC Lourenço, LPM Freitas, AAE Santo, GT Feliciano, ... Materials Advances 2 (23), 7759-7772, 2021 | 12 | 2021 |
| Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites: Insights from Enhanced Sampling Molecular Dynamics and Free … LPM Freitas, AA Espirito Santo, TC Lourenco, JLF Da Silva, GT Feliciano Langmuir 37 (26), 8014-8023, 2021 | 3 | 2021 |
| Genetic Algorithms Applied to Thermodynamic Rational Design of Mimetic Antibodies Based on the GB1 Domain of Streptococcal Protein G: An Atomistic Simulation Study AAE Santo, GT Feliciano The Journal of Physical Chemistry B 125 (29), 7985-7996, 2021 | 2 | 2021 |
| Thermodynamic and structural aspects of molecular recognition in mannose-binding protein complexes: a theoretical study over HRP-ArtinM association AAE Santo, GT Feliciano Journal of Molecular Modeling 27 (4), 107, 2021 | 2 | 2021 |
| Algoritmos genéticos aplicados ao planejamento racional termodinâmico de anticorpos miméticos baseados no domínio GB1 da proteína G estreptocócica: Um estudo de simulação … AADOE SANTO Universidade Estadual Paulista, 2024 | | 2024 |
| Steric and Electrostatic Effects on the Diffusion of CH₄/CH₃OH in Copper-Exchanged Zeolites: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations LPM Freitas, AAE Santo, TC Lourenço, JLF Da Silva, GT Feliciano | | 2021 |
| Multidimensional redox potential/p K a coupling in multicopper oxidases from molecular dynamics: implications for the proton transfer mechanism AAE Santo, VHR Lazaroti, GT Feliciano Physical Chemistry Chemical Physics 23 (48), 27348-27354, 2021 | | 2021 |
| Estudo sobre a variação da energia livre de ligação em complexos lectina-peroxidase através da dinâmica molecular AAE Santo Universidade Estadual Paulista (Unesp), 2019 | | 2019 |
