| Year |
Citation |
Score |
| 2016 |
Gianti E, Messick TE, Lieberman PM, Zauhar RJ. Computational analysis of EBNA1 "druggability" suggests novel insights for Epstein-Barr virus inhibitor design. Journal of Computer-Aided Molecular Design. PMID 27048620 DOI: 10.1007/S10822-016-9899-Y |
0.361 |
|
| 2015 |
Werner MM, Patel BA, Talele TT, Ashby CR, Li Z, Zauhar RJ. Dual inhibition of Staphylococcus aureus DNA gyrase and topoisomerase IV activity by phenylalanine-derived (Z)-5-arylmethylidene rhodanines. Bioorganic & Medicinal Chemistry. 23: 6125-37. PMID 26320664 DOI: 10.1016/J.Bmc.2015.08.004 |
0.564 |
|
| 2015 |
Keil AM, Frederick DM, Jacinto EY, Kennedy EL, Zauhar RJ, West NM, Tchao R, Harvison PJ. Cytotoxicity of Thiazolidinedione-, Oxazolidinedione- and Pyrrolidinedione-Ring Containing Compounds in HepG2 Cells. Toxicology in Vitro : An International Journal Published in Association With Bibra. PMID 26193171 DOI: 10.1016/J.Tiv.2015.07.015 |
0.316 |
|
| 2014 |
Werner MM, Li Z, Zauhar RJ. Computer-aided identification of novel 3,5-substituted rhodanine derivatives with activity against Staphylococcus aureus DNA gyrase. Bioorganic & Medicinal Chemistry. 22: 2176-87. PMID 24629449 DOI: 10.1016/J.Bmc.2014.02.020 |
0.576 |
|
| 2013 |
Zauhar RJ, Gianti E, Welsh WJ. Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery. Journal of Computer-Aided Molecular Design. 27: 1009-36. PMID 24366428 DOI: 10.1007/S10822-013-9698-7 |
0.351 |
|
| 2011 |
Zauhar R, Tian L. A new Boundary Element Formulation for Macromolecular Electrostatics Biophysical Journal. 100: 159a. DOI: 10.1016/J.Bpj.2010.12.1082 |
0.397 |
|
| 2006 |
Wang CY, Ai N, Arora S, Erenrich E, Nagarajan K, Zauhar R, Young D, Welsh WJ. Identification of previously unrecognized antiestrogenic chemicals using a novel virtual screening approach. Chemical Research in Toxicology. 19: 1595-601. PMID 17173372 DOI: 10.1021/Tx060218K |
0.449 |
|
| 2006 |
Meek PJ, Liu Z, Tian L, Wang CY, Welsh WJ, Zauhar RJ. Shape Signatures: speeding up computer aided drug discovery. Drug Discovery Today. 11: 895-904. PMID 16997139 DOI: 10.1016/J.Drudis.2006.08.014 |
0.466 |
|
| 2003 |
Zauhar RJ, Moyna G, Tian L, Li Z, Welsh WJ. Shape signatures: a new approach to computer-aided ligand- and receptor-based drug design. Journal of Medicinal Chemistry. 46: 5674-90. PMID 14667221 DOI: 10.1021/Jm030242K |
0.53 |
|
| 2000 |
Jayatilleke PR, Nair AC, Zauhar R, Welsh WJ. Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models. Journal of Medicinal Chemistry. 43: 4446-51. PMID 11087569 DOI: 10.1021/Jm9905357 |
0.326 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2012 |
Gianti E, Zauhar RJ. Modeling androgen receptor flexibility: a binding mode hypothesis of CYP17 inhibitors/antiandrogens for prostate cancer therapy. Journal of Chemical Information and Modeling. 52: 2670-83. PMID 22924551 DOI: 10.1021/ci3002342 |
0.283 |
|
| 2006 |
Hartman I, Raia CA, Zauhar RJ. Evidence for a strong selenium-aromatic interaction derived from crystallographic data and ab initio quantum chemical calculations. Biopolymers. 83: 595-613. PMID 16948120 DOI: 10.1002/bip.20592 |
0.283 |
|
| 2005 |
Nagarajan K, Zauhar R, Welsh WJ. Enrichment of ligands for the serotonin receptor using the Shape Signatures approach. Journal of Chemical Information and Modeling. 45: 49-57. PMID 15667128 DOI: 10.1021/ci049746x |
0.26 |
|
| 2007 |
Zhou D, Liu R, Otmani SA, Grimm SW, Zauhar RJ, Zamora I. Rapid classification of CYP3A4 inhibition potential using support vector machine approach Letters in Drug Design and Discovery. 4: 192-200. DOI: 10.2174/157018007780077462 |
0.227 |
|
| 2006 |
Zhou D, Afzelius L, Grimm SW, Andersson TB, Zauhar RJ, Zamora I. Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions. Drug Metabolism and Disposition: the Biological Fate of Chemicals. 34: 976-83. PMID 16540587 DOI: 10.1124/dmd.105.008631 |
0.222 |
|
| 2009 |
Hartman I, Gillies AR, Arora S, Andaya C, Royapet N, Welsh WJ, Wood DW, Zauhar RJ. Application of screening methods, shape signatures and engineered biosensors in early drug discovery process. Pharmaceutical Research. 26: 2247-58. PMID 19626425 DOI: 10.1007/S11095-009-9941-Z |
0.217 |
|
| 2001 |
Swalina CW, Zauhar RJ, DeGrazia MJ, Moyna G. Derivation of 13C chemical shift surfaces for the anomeric carbons of oligosaccharides and glycopeptides using ab initio methodology. Journal of Biomolecular Nmr. 21: 49-61. PMID 11693568 DOI: 10.1023/A:1011928919734 |
0.186 |
|
| 1998 |
Moyna G, Zauhar RJ, Williams HJ, Nachman RJ, Scott AI. Comparison of ring current methods for use in molecular modeling refinement of NMR derived three-dimensional structures. Journal of Chemical Information and Computer Sciences. 38: 702-9. PMID 9691476 DOI: 10.1021/ci980402e |
0.185 |
|
| 2010 |
MOYNA G, ZAUHAR RJ, WILLIAMS HJ, NACHMAN RJ, SCOTT AI. ChemInform Abstract: Comparison of Ring Current Methods for Use in Molecular Modeling Refinement of NMR Derived Three-Dimensional Structures. Cheminform. 29: no-no. DOI: 10.1002/chin.199845279 |
0.18 |
|
| 2000 |
Zauhar RJ, Colbert CL, Morgan RS, Welsh WJ. Evidence for a strong sulfur-aromatic interaction derived from crystallographic data. Biopolymers. 53: 233-48. PMID 10679628 DOI: 10.1002/(Sici)1097-0282(200003)53:3<233::Aid-Bip3>3.0.Co;2-4 |
0.178 |
|
| 1993 |
Rak J, Byażejowski J, Zauhar RJ. Studies on nitracrine and its nitro isomers devoted to tautomeric phenomena, structural and physicochemical features, as well as surrounding electrostatic potential Canadian Journal of Chemistry. 71: 1106-1122. DOI: 10.1139/v93-147 |
0.177 |
|
| 2015 |
Gianti E, Zauhar RJ. An SH2 domain model of STAT5 in complex with phospho-peptides define "STAT5 Binding Signatures". Journal of Computer-Aided Molecular Design. 29: 451-70. PMID 25752764 DOI: 10.1007/s10822-015-9835-6 |
0.174 |
|
| 1985 |
Zauhar RJ, Morgan RS. A new method for computing the macromolecular electric potential. Journal of Molecular Biology. 186: 815-20. PMID 4093987 DOI: 10.1016/0022-2836(85)90399-7 |
0.158 |
|
| 1990 |
Zauhar RJ, Morgan RS. Computing the electric potential of biomolecules: Application of a new method of molecular surface triangulation Journal of Computational Chemistry. 11: 603-622. DOI: 10.1002/jcc.540110509 |
0.156 |
|
| 1995 |
Zauhar RJ. SMART: a solvent-accessible triangulated surface generator for molecular graphics and boundary element applications. Journal of Computer-Aided Molecular Design. 9: 149-59. PMID 7608746 DOI: 10.1007/BF00124405 |
0.138 |
|
| 1996 |
Zauhar RJ, Varnek A. A fast and Space-efficient boundary element method for computing electrostatic and hydration effects in large molecules Journal of Computational Chemistry. 17: 864-877. DOI: 10.1002/(SICI)1096-987X(199605)17:7<864::AID-JCC10>3.0.CO;2-B |
0.12 |
|
| 1988 |
Zauhar RJ, Morgan RS. The rigorous computation of the molecular electric potential Journal of Computational Chemistry. 9: 171-187. DOI: 10.1002/jcc.540090209 |
0.114 |
|
| 1996 |
Buono RA, Zauhar RJ, Venanzi CA. Ab initio rotational barriers and solvation free energies of fluorinated dimethyl ethers Journal of Molecular Structure: Theochem. 370: 97-133. DOI: 10.1016/S0166-1280(96)04566-6 |
0.112 |
|
| 1993 |
Fox T, Rösch N, Zauhar RJ. 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 Journal of Computational Chemistry. 14: 253-262. DOI: 10.1002/jcc.540140302 |
0.11 |
|
| 2006 |
Rubenstein LA, Zauhar RJ, Lanzara RG. Molecular dynamics of a biophysical model for beta2-adrenergic and G protein-coupled receptor activation. Journal of Molecular Graphics & Modelling. 25: 396-409. PMID 16574446 DOI: 10.1016/j.jmgm.2006.02.008 |
0.109 |
|
| 1994 |
Buono RA, Venanzi TJ, Zauhar RJ, Luzhkov VB, Venanzi CA. Molecular Dynamics and Static Solvation Studies of Amiloride Journal of the American Chemical Society. 116: 1502-1513. DOI: 10.1021/Ja00083A039 |
0.095 |
|
| 1992 |
Rak J, Blazejowski J, Zauhar RJ. Theoretical studies on the prototropic tautomerism, structure, and features of acridine and 9-acridinamine free bases and their protonated forms The Journal of Organic Chemistry. 57: 3720-3725. DOI: 10.1021/jo00039a039 |
0.094 |
|
| 2010 |
VENANZI CA, BUONO RA, LUZHKOV VB, ZAUHAR RJ, VENANZI TJ. ChemInform Abstract: Case Studies in Solvation of Bioactive Molecules. Amiloride, a Sodium Channel Blocker, and β-Cyclodextrin, an Enzyme Mimic. Cheminform. 26: no-no. DOI: 10.1002/chin.199509320 |
0.094 |
|
| 2023 |
Wallach J, Cao AB, Calkins MM, Heim AJ, Lanham JK, Bonniwell EM, Hennessey JJ, Bock HA, Anderson EI, Sherwood AM, Morris H, de Klein R, Klein AK, Cuccurazzu B, Gamrat J, ... ... Zauhar R, et al. Identification of 5-HT Receptor Signaling Pathways Responsible for Psychedelic Potential. Biorxiv : the Preprint Server For Biology. PMID 37577474 DOI: 10.1101/2023.07.29.551106 |
0.091 |
|
| 2023 |
Wallach J, Cao AB, Calkins MM, Heim AJ, Lanham JK, Bonniwell EM, Hennessey JJ, Bock HA, Anderson EI, Sherwood AM, Morris H, de Klein R, Klein AK, Cuccurazzu B, Gamrat J, ... ... Zauhar R, et al. Identification of 5-HT receptor signaling pathways associated with psychedelic potential. Nature Communications. 14: 8221. PMID 38102107 DOI: 10.1038/s41467-023-44016-1 |
0.089 |
|
| 1992 |
Bruno J, Horrocks WD, Zauhar RJ. Europium(III) luminescence and tyrosine to terbium(III) energy-transfer studies of invertebrate (octopus) calmodulin. Biochemistry. 31: 7016-26. PMID 1643036 DOI: 10.1021/bi00146a002 |
0.088 |
|
| 2022 |
Imamoto JM, Zauhar RJ, Bruist MF. Sarcin/Ricin Domain RNA Retains Its Structure Better Than A-RNA in Adaptively Biased Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. 126: 10018-10033. PMID 36417896 DOI: 10.1021/acs.jpcb.2c05859 |
0.075 |
|
| 1991 |
Zauhar RJ. The incorporation of hydration forces determined by continuum electrostatics into molecular mechanics simulations Journal of Computational Chemistry. 12: 575-583. DOI: 10.1002/jcc.540120507 |
0.064 |
|
| 2021 |
Lyu Y, Zauhar R, Dana N, Strang CE, Hu J, Wang K, Liu S, Pan N, Gamlin P, Kimble JA, Messinger JD, Curcio CA, Stambolian D, Li M. Implication of specific retinal cell-type involvement and gene expression changes in AMD progression using integrative analysis of single-cell and bulk RNA-seq profiling. Scientific Reports. 11: 15612. PMID 34341398 DOI: 10.1038/s41598-021-95122-3 |
0.053 |
|
| 2022 |
Zauhar R, Biber J, Jabri Y, Kim M, Hu J, Kaplan L, Pfaller AM, Schäfer N, Enzmann V, Schlötzer-Schrehardt U, Straub T, Hauck SM, Gamlin PD, McFerrin MB, Messinger J, et al. As in Real Estate, Location Matters: Cellular Expression of Complement Varies Between Macular and Peripheral Regions of the Retina and Supporting Tissues. Frontiers in Immunology. 13: 895519. PMID 35784369 DOI: 10.3389/fimmu.2022.895519 |
0.049 |
|
| 2017 |
Li M, Zauhar RJ, Grazal C, Curcio CA, DeAngelis MM, Stambolian D. RNA expression in human retina. Human Molecular Genetics. 26: R68-R74. PMID 28854577 DOI: 10.1093/Hmg/Ddx219 |
0.036 |
|
| 2022 |
Sterling JK, Baumann B, Foshe S, Voigt A, Guttha S, Alnemri A, McCright SJ, Li M, Zauhar RJ, Montezuma SR, Kapphahn RJ, Chavali VRM, Hill DA, Ferrington DA, Stambolian D, et al. Inflammatory adipose activates a nutritional immunity pathway leading to retinal dysfunction. Cell Reports. 39: 110942. PMID 35705048 DOI: 10.1016/j.celrep.2022.110942 |
0.022 |
|
| 2001 |
Zauhar RJ. University bioinformatics programs on the rise. Nature Biotechnology. 19: 285-6. PMID 11231569 DOI: 10.1038/85758 |
0.017 |
|
| Hide low-probability matches. |