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| Title : Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase - Nascimento_2018_J.Comput.Aided.Mol.Des_32_607 |
| Author(s) : Nascimento ECM , Oliva M , Andres J |
| Ref : J Comput Aided Mol Des , 32 :607 , 2018 |
| Abstract : Nascimento_2018_J.Comput.Aided.Mol.Des_32_607 |
| ESTHER : Nascimento_2018_J.Comput.Aided.Mol.Des_32_607 |
| PubMedSearch : Nascimento_2018_J.Comput.Aided.Mol.Des_32_607 |
| PubMedID: 29582230 |
| 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 : Nascimento_2017_J.Chem.Inf.Model_57_958 |
| ESTHER : Nascimento_2017_J.Chem.Inf.Model_57_958 |
| PubMedSearch : Nascimento_2017_J.Chem.Inf.Model_57_958 |
| PubMedID: 28406297 |
| Title : Electronic structure and PCA analysis of covalent and non-covalent acetylcholinesterase inhibitors - Nascimento_2011_J.Mol.Model_17_1371 |
| Author(s) : Nascimento ECM , Martins JB |
| Ref : J Mol Model , 17 :1371 , 2011 |
| Abstract : Nascimento_2011_J.Mol.Model_17_1371 |
| ESTHER : Nascimento_2011_J.Mol.Model_17_1371 |
| PubMedSearch : Nascimento_2011_J.Mol.Model_17_1371 |
| PubMedID: 20839017 |