Carvalho HF

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References (2)

Title : Noncovalent binding of carbofuran to acetylcholinesterase from Homo sapiens, Danio rerio, Apis mellifera and Caenorhabditis elegans: Homology modelling, molecular docking and dynamics, and quantum biochemistry description - Veras_2023_Chem.Biol.Interact_388_110826
Author(s) : Veras JPC , Franca VLB , Carvalho HF , Freire VN
Ref : Chemico-Biological Interactions , 388 :110826 , 2023
Abstract : Veras_2023_Chem.Biol.Interact_388_110826
ESTHER : Veras_2023_Chem.Biol.Interact_388_110826
PubMedSearch : Veras_2023_Chem.Biol.Interact_388_110826
PubMedID: 38101596

Title : Molecular Mechanism of Methanol Inhibition in CALB-Catalyzed Alcoholysis: Analyzing Molecular Dynamics Simulations by a Markov State Model - Carvalho_2021_J.Chem.Theory.Comput__
Author(s) : Carvalho HF , Ferrario V , Pleiss J
Ref : J Chem Theory Comput , : , 2021
Abstract : Carvalho_2021_J.Chem.Theory.Comput__
ESTHER : Carvalho_2021_J.Chem.Theory.Comput__
PubMedSearch : Carvalho_2021_J.Chem.Theory.Comput__
PubMedID: 34494846