| 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 : Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution - Schalk-Hihi_2011_Protein.Sci_20_670 |
| Author(s) : Schalk-Hihi C , Schubert C , Alexander R , Bayoumy S , Clemente JC , Deckman I , Desjarlais RL , Dzordzorme KC , Flores CM , Grasberger B , Kranz JK , Lewandowski F , Liu L , Ma H , Maguire D , Macielag MJ , McDonnell ME , Mezzasalma Haarlander T , Miller R , Milligan C , Reynolds C , Kuo LC |
| Ref : Protein Science , 20 :670 , 2011 |
| Abstract : |
| PubMedSearch : Schalk-Hihi_2011_Protein.Sci_20_670 |
| PubMedID: 21308848 |
| Gene_locus related to this paper: human-MGLL |
| Title : Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors - Qiao_2006_Bioorg.Med.Chem.Lett_16_123 |
| Author(s) : Qiao L , Baumann CA , Crysler CS , Ninan NS , Abad MC , Spurlino JC , Desjarlais RL , Kervinen J , Neeper MP , Bayoumy SS , Williams R , Deckman IC , Dasgupta M , Reed RL , Huebert ND , Tomczuk BE , Moriarty KJ |
| Ref : Bioorganic & Medicinal Chemistry Lett , 16 :123 , 2006 |
| Abstract : |
| PubMedSearch : Qiao_2006_Bioorg.Med.Chem.Lett_16_123 |
| PubMedID: 16236500 |
| Gene_locus related to this paper: human-DPP4 |