| 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 : |
| 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 : |
| PubMedSearch : Bennion_2015_PLoS.One_10_e0121092 |
| PubMedID: 25874456 |
| Title : Modeling the binding of CWAs to AChE and BuChE - Bennion_2013_Mil.Med.Sci.Lett_82_102 |
| Author(s) : Bennion BJ , Lau EY , Fattebert J , Huang P , Schwegler E , Corning W , Lightstone FC |
| Ref : Military Medical Science Letters , 82 :102 , 2013 |
| Abstract : |
| PubMedSearch : Bennion_2013_Mil.Med.Sci.Lett_82_102 |
| PubMedID: |
| Title : A theoretical examination of the acid-catalyzed and noncatalyzed ring-opening reaction of an oxirane by nucleophilic addition of acetate. Implications to epoxide hydrolases - Lau_2001_J.Am.Chem.Soc_123_3350 |
| Author(s) : Lau EY , Newby ZE , Bruice TC |
| Ref : Journal of the American Chemical Society , 123 :3350 , 2001 |
| Abstract : |
| PubMedSearch : Lau_2001_J.Am.Chem.Soc_123_3350 |
| PubMedID: 11457071 |
| Title : Consequences of breaking the Asp-His hydrogen bond of the catalytic triad: effects on the structure and dynamics of the serine esterase cutinase - Lau_1999_Biophys.J_77_85 |
| Author(s) : Lau EY , Bruice TC |
| Ref : Biophysical Journal , 77 :85 , 1999 |
| Abstract : |
| PubMedSearch : Lau_1999_Biophys.J_77_85 |
| PubMedID: 10388742 |