Title : Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase - Ohadi_2024_J.Chem.Inf.Model__ |
Author(s) : Ohadi D , Kumar K , Ravula S , Desjarlais RL , Seierstad MJ , Shih AY , Hack MD , Schiffer JM |
Ref : J Chem Inf Model , : , 2024 |
Abstract : |
PubMedSearch : Ohadi_2024_J.Chem.Inf.Model__ |
PubMedID: 39560439 |
Title : Surfactant Charge Modulates Structure and Stability of Lipase-Embedded Monolayers at Marine-Relevant Aerosol Surfaces - Luo_2019_Langmuir_35_9050 |
Author(s) : Luo M , Dommer AC , Schiffer JM , Rez DJ , Mitchell AR , Amaro RE , Grassian VH |
Ref : Langmuir , 35 :9050 , 2019 |
Abstract : |
PubMedSearch : Luo_2019_Langmuir_35_9050 |
PubMedID: 31188612 |
Title : Impacts of Lipase Enzyme on the Surface Properties of Marine Aerosols - Schiffer_2018_J.Phys.Chem.Lett_9_3839 |
Author(s) : Schiffer JM , Luo M , Dommer AC , Thoron G , Pendergraft M , Santander MV , Lucero D , Pecora de Barros E , Prather KA , Grassian VH , Amaro RE |
Ref : J Phys Chem Lett , 9 :3839 , 2018 |
Abstract : |
PubMedSearch : Schiffer_2018_J.Phys.Chem.Lett_9_3839 |
PubMedID: 29916254 |