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Randy J. Zauhar
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2020 – today
- 2021
- [i1]Thierry Petit, Randy J. Zauhar:
A Constraint Programming Approach to Weighted Isomorphic Mapping of Fragment-based Shape Signatures. CoRR abs/2112.10892 (2021)
2010 – 2019
- 2016
- [j9]Eleonora Gianti, Troy E. Messick
, Paul M. Lieberman, Randy J. Zauhar:
Computational analysis of EBNA1 "druggability" suggests novel insights for Epstein-Barr virus inhibitor design. J. Comput. Aided Mol. Des. 30(4): 285-303 (2016) - 2015
- [j8]Eleonora Gianti
An SH2 domain model of STAT5 in complex with phospho-peptides define "STAT5 Binding Signatures". J. Comput. Aided Mol. Des. 29(5): 451-470 (2015) - 2013
- [j7]Randy J. Zauhar, Eleonora Gianti
Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery. J. Comput. Aided Mol. Des. 27(12): 1009-1036 (2013) - 2012
- [j6]Eleonora Gianti
Modeling Androgen Receptor Flexibility: A Binding Mode Hypothesis of CYP17 Inhibitors/Antiandrogens for Prostate Cancer Therapy. J. Chem. Inf. Model. 52(10): 2670-2683 (2012)
2000 – 2009
- 2005
- [j5]Karthigeyan Nagarajan, Randy J. Zauhar, William J. Welsh:
Enrichment of Ligands for the Serotonin Receptor Using the Shape Signatures Approach. J. Chem. Inf. Model. 45(1): 49-57 (2005)
1990 – 1999
- 1998
- [j4]Guillermo Moyna
Comparison of Ring Current Methods for Use in Molecular Modeling Refinement of NMR Derived Three-Dimensional Structures. J. Chem. Inf. Comput. Sci. 38(4): 702-709 (1998) - 1996
- [j3]Randy J. Zauhar, Alexandre Varnek:
A fast and Space-Efficient boundary element method for computing electrostatic and hydration effects in large molecules. J. Comput. Chem. 17(7): 864-877 (1996) - 1995
- [j2]Randy J. Zauhar:
SMART: A solvent-accessible triangulated surface generator for molecular graphics and boundary element applications. J. Comput. Aided Mol. Des. 9(2): 149-159 (1995) - 1993
- [j1]Thomas Fox
Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method. J. Comput. Chem. 14(3): 253-262 (1993)
Coauthor Index
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