Arlan da Silva Gonçalves

Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods

Arlan da Silva Gonçalves, Tanos C. C. França, Melissa S. Caetano et al. · Journal of Biomolecular Structure and Dynamics · 2013 · 64 citations

Life Sciences, Biochemistry, Pharmacology +17

Molecular dynamics simulations and QM/MM studies of the reactivation by 2-PAM of tabun inhibited human acethylcolinesterase

Arlan da Silva Gonçalves, Tanos C. C. França, José Daniel Figueroa‐Villar et al. · Journal of the Brazilian Chemical Society · 2011 · 49 citations · Full text

Life Sciences, Biochemistry, Pharmacology +17

Molecular Modeling Studies of the Structural, Electronic, and UV Absorption Properties of Benzophenone Derivatives

Bianca A. M. Corrêa, Arlan da Silva Gonçalves, Alessandra Mendonça Teles de Souza et al. · The Journal of Physical Chemistry A · 2012 · 47 citations

Natural Sciences, Chemistry, Physics +17

Molecular modeling for the investigation of UV absorbers for sunscreens: Triazine and benzotriazole derivatives

Bianca Aloise Maneira Corrêa Santos, Anne C.P. da Silva, Murilo Lamim Bello et al. · Journal of Photochemistry and Photobiology A Chemistry · 2017 · 40 citations

Pharmacy, Chemistry, Dermatology +13

Docking and molecular dynamics studies of peripheral site ligand–oximes as reactivators of sarin-inhibited human acetylcholinesterase

Joyce S. F. D. de Almeida, Teobaldo Cuya, Ana Paula de Campos Guimarães et al. · Journal of Biomolecular Structure and Dynamics · 2015 · 35 citations · Full text

Life Sciences, Medicinal Chemistry, Pharmacology +17