Emilio X. Esposito, Ph.D.
Affiliations: | 2003 | Duquesne University, Pittsburgh, PA, United States |
Area:
Physical Chemistry, Biochemistry, Pharmaceutical ChemistryGoogle:
"Emilio Esposito"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Jeffry D. Madura | grad student | 2003 | Duquesne University | |
| (Computational study of human melatonin receptors, MT-1 and MT-2.) | ||||
| Anton J. Hopfinger | post-doc | |||
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Publications
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| Pulugulla SH, Workman R, Rutter NW, et al. (2018) A combined computational and experimental approach reveals the structure of a C/EBPβ:Spi-1 interaction required for gene transcription. The Journal of Biological Chemistry |
| Sharma SK, Yip C, Esposito EX, et al. (2018) The Design, Synthesis and Characterizations of Spore Germination Inhibitors Effective against an Epidemic Strain of Clostridium difficile. Journal of Medicinal Chemistry |
| Lin FY, Esposito EX, Tseng YJ. (2018) LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility. Frontiers in Pharmacology. 9: 96 |
| Berberich JA, Stouch TR, Manepalli S, et al. (2016) Biological Testing of Organophosphorus-Inactivated Acetylcholinesterase Oxime Reactivators Identified via Virtual Screening. Chemical Research in Toxicology |
| Esposito EX, Hopfinger AJ, Shao CY, et al. (2015) Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: interpretation of physicochemical properties from optimal QSAR models. Toxicology and Applied Pharmacology. 288: 52-62 |
| Esposito EX, Hopfinger AJ, Shao CY, et al. (2015) Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: Interpretation of physicochemical properties from optimal QSAR models Toxicology and Applied Pharmacology. 288: 52-62 |
| Felton LA, Popescu C, Wiley C, et al. (2014) Experimental and computational studies of physicochemical properties influence NSAID-cyclodextrin complexation. Aaps Pharmscitech. 15: 872-81 |
| Esposito EX, Stouch TR, Wymore T, et al. (2014) Exploring the physicochemical properties of oxime-reactivation therapeutics for cyclosarin, sarin, tabun, and VX inactivated acetylcholinesterase. Chemical Research in Toxicology. 27: 99-110 |
| Dunbar JB, Smith RD, Damm-Ganamet KL, et al. (2013) CSAR data set release 2012: ligands, affinities, complexes, and docking decoys. Journal of Chemical Information and Modeling. 53: 1842-52 |
| Chang CY, Hsu MT, Esposito EX, et al. (2013) Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods. Journal of Chemical Information and Modeling. 53: 958-71 |