| Title : Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis - Fattebert_2015_J.Chem.Theory.Comput_11_5688 |
| Author(s) : Fattebert JL , Lau EY , Bennion BJ , Huang P , Lightstone FC |
| Ref : J Chem Theory Comput , 11 :5688 , 2015 |
| Abstract : Fattebert_2015_J.Chem.Theory.Comput_11_5688 |
| ESTHER : Fattebert_2015_J.Chem.Theory.Comput_11_5688 |
| PubMedSearch : Fattebert_2015_J.Chem.Theory.Comput_11_5688 |
| PubMedID: 26642985 |
| Title : A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations - Bennion_2015_PLoS.One_10_e0121092 |
| Author(s) : Bennion BJ , Essiz SG , Lau EY , Fattebert JL , Emigh A , Lightstone FC |
| Ref : PLoS ONE , 10 :e0121092 , 2015 |
| Abstract : Bennion_2015_PLoS.One_10_e0121092 |
| ESTHER : Bennion_2015_PLoS.One_10_e0121092 |
| PubMedSearch : Bennion_2015_PLoS.One_10_e0121092 |
| PubMedID: 25874456 |