| Title : Estimating AChE inhibitors from MCE database by machine learning and atomistic calculations - Thai_2024_J.Mol.Graph.Model_134_108906 |
| Author(s) : Thai QM , Nguyen TH , Lenon GB , Thu Phung HT , Horng JT , Tran PT , Ngo ST |
| Ref : J Mol Graph Model , 134 :108906 , 2024 |
| Abstract : |
| PubMedSearch : Thai_2024_J.Mol.Graph.Model_134_108906 |
| PubMedID: 39561662 |
| Title : Searching for potential acetylcholinesterase inhibitors: a combined approach of multi-step similarity search, machine learning and molecular dynamics simulations - Thai_2024_R.Soc.Open.Sci_11_240546 |
| Author(s) : Thai QM , Pham MQ , Tran PT , Nguyen TH , Ngo ST |
| Ref : R Soc Open Sci , 11 :240546 , 2024 |
| Abstract : |
| PubMedSearch : Thai_2024_R.Soc.Open.Sci_11_240546 |
| PubMedID: 39359466 |
| Title : Identifying Possible AChE Inhibitors from Drug-like Molecules via Machine Learning and Experimental Studies - Nguyen_2022_ACS.Omega_7_20673 |
| Author(s) : Nguyen TH , Tran PT , Pham NQA , Hoang VH , Hiep DM , Ngo ST |
| Ref : ACS Omega , 7 :20673 , 2022 |
| Abstract : |
| PubMedSearch : Nguyen_2022_ACS.Omega_7_20673 |
| PubMedID: 35755364 |
| Title : Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations - Thai_2022_J.Mol.Graph.Model_115_108230 |
| Author(s) : Thai QM , Pham TNH , Hiep DM , Pham MQ , Tran PT , Nguyen TH , Ngo ST |
| Ref : J Mol Graph Model , 115 :108230 , 2022 |
| Abstract : |
| PubMedSearch : Thai_2022_J.Mol.Graph.Model_115_108230 |
| PubMedID: 35661591 |
| Title : Prediction of AChE-ligand affinity using the umbrella sampling simulation - Lan_2019_J.Mol.Graph.Model_93_107441 |
| Author(s) : Lan NT , Vu KB , Dao Ngoc MK , Tran PT , Hiep DM , Tung NT , Ngo ST |
| Ref : J Mol Graph Model , 93 :107441 , 2019 |
| Abstract : |
| PubMedSearch : Lan_2019_J.Mol.Graph.Model_93_107441 |
| PubMedID: 31479951 |