| Title : Molecular Modeling and Analysis of Cannabinoid and Cannabinoid-like Molecules Combining K-Means Clustering with Pearson Correlation and PCA - Vieira_2025_Int.J.Mol.Sci_26_ |
| Author(s) : Vieira RC , Nascimento CM , Martins JBL |
| Ref : Int J Mol Sci , 26 : , 2025 |
| Abstract : |
| PubMedSearch : Vieira_2025_Int.J.Mol.Sci_26_ |
| PubMedID: 41373674 |
| Title : NCIVISION: A Siamese Neural Network for Molecular Similarity Prediction MEP and RDG Images - Vieira_2025_Molecules_30_ |
| Author(s) : Vieira RC , Nascimento LA , Nascimento AA , Alves NRM , Nascimento CM , Martins JBL |
| Ref : Molecules , 30 : , 2025 |
| Abstract : |
| PubMedSearch : Vieira_2025_Molecules_30_ |
| PubMedID: 41375185 |
| Title : In silico study of tacrine and acetylcholine binding profile with human acetylcholinesterase: docking and electronic structure - Nascimento_2022_J.Mol.Model_28_252 |
| Author(s) : Nascimento LA , Nascimento CM , Martins JBL |
| Ref : J Mol Model , 28 :252 , 2022 |
| Abstract : |
| PubMedSearch : Nascimento_2022_J.Mol.Model_28_252 |
| PubMedID: 35947248 |
| Title : Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds - Borges_2018_J.Mol.Model_24_41 |
| Author(s) : Borges NM , Sartori GR , Ribeiro JFR , Rocha JR , Martins JBL , Montanari CA , Gargano R |
| Ref : J Mol Model , 24 :41 , 2018 |
| Abstract : |
| PubMedSearch : Borges_2018_J.Mol.Model_24_41 |
| PubMedID: 29332299 |
| Title : Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM\/MM MD Simulations - Nascimento_2017_J.Chem.Inf.Model_57_958 |
| Author(s) : Nascimento ECM , Oliva M , Swiderek K , Martins JBL , Andres J |
| Ref : J Chem Inf Model , 57 :958 , 2017 |
| Abstract : |
| PubMedSearch : Nascimento_2017_J.Chem.Inf.Model_57_958 |
| PubMedID: 28406297 |