Emilio X. Esposito, Ph.D.

Affiliations: 
2003 Duquesne University, Pittsburgh, PA, United States 
Area:
Physical Chemistry, Biochemistry, Pharmaceutical Chemistry
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"Emilio Esposito"
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Parents

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Jeffry D. Madura grad student 2003 Duquesne University
 (Computational study of human melatonin receptors, MT-1 and MT-2.)
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Publications

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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, 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
Smith RD, Dunbar JB, Ung PM, et al. (2011) CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions. Journal of Chemical Information and Modeling. 51: 2115-31
Zheng T, Hopfinger AJ, Esposito EX, et al. (2008) Membrane-interaction quantitative structure--activity relationship (MI-QSAR) analyses of skin penetration enhancers. Journal of Chemical Information and Modeling. 48: 1238-56
Liu J, Kern PS, Gerberick GF, et al. (2008) Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors. Journal of Computer-Aided Molecular Design. 22: 345-66
Esposito EX, Hopfinger AJ, Madura JD. (2008) 3D- and nD-QSAR Methods Handbook of Chemoinformatics. 4: 1575-1603
Esposito EX, Tobi D, Madura JD. (2006) Comparative protein modeling Reviews in Computational Chemistry. 22: 57-167
Esposito EX, Hopfinger AJ, Madura JD. (2004) Methods for applying the quantitative structure-activity relationship paradigm. Methods in Molecular Biology (Clifton, N.J.). 275: 131-214
Esposito EX, Baran K, Kelly K, et al. (2000) Docking of sulfonamides to carbonic anhydrase II and IV. Journal of Molecular Graphics & Modelling. 18: 283-9, 307-8
Esposito EX, Baran K, Kelly K, et al. (2000) Docking substrates to metalloenzymes Molecular Simulation. 24: 293-306
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