Edward C. Sherer, Ph.D. - Publications

2002 University of Minnesota, Twin Cities, Minneapolis, MN 
Theoretical Chemistry, Molecular Modeling, Computational Chemistry, Structure, Reactivity, and Mechanism

47 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Chang W, Pei Y, Guidry EN, Zewge D, Parish CA, Sherer EC, DiMuzio J, Zhang H, South VJ, Strapps WR, Sepp-Lorenzino L, Colletti SL, Stanton MG. Systematic chemical modifications of single stranded siRNAs significantly improved CTNNB1 mRNA silencing. Bioorganic & Medicinal Chemistry Letters. PMID 27503684 DOI: 10.1016/j.bmcl.2016.07.064  1
2016 Pero JE, Rossi MA, Kelly MJ, Lehman HD, Layton ME, Garbaccio RM, O'Brien JA, Magliaro BC, Uslaner JM, Huszar SL, Fillgrove KL, Tang C, Kuo Y, Joyce LA, Sherer EC, et al. Optimization of Novel Aza-benzimidazolone mGluR2 PAMs with Respect to LLE and PK Properties and Mitigation of CYP TDI. Acs Medicinal Chemistry Letters. 7: 312-7. PMID 26985321 DOI: 10.1021/acsmedchemlett.5b00459  1
2016 He S, Dobbelaar PH, Guo L, Ye Z, Liu J, Jian T, Truong Q, Shah SK, Du W, Qi H, Bakshi RK, Hong Q, Dellureficio JD, Sherer E, Pasternak A, et al. SAR exploration at the C-3 position of tetrahydro-β-carboline sstr3 antagonists. Bioorganic & Medicinal Chemistry Letters. PMID 26898814 DOI: 10.1016/j.bmcl.2016.02.022  1
2016 Zhang T, Liu Y, Yang X, Martin GE, Yao H, Shang J, Bugianesi RM, Ellsworth KP, Sonatore LM, Nizner P, Sherer EC, Hill SE, Knemeyer IW, Geissler WM, Dandliker PJ, et al. Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure-Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program. Journal of Medicinal Chemistry. PMID 26871940 DOI: 10.1021/acs.jmedchem.5b01293  1
2016 Bentley KW, Joyce LA, Sherer EC, Sheng H, Wolf C, Welch CJ. Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters. The Journal of Organic Chemistry. PMID 26756165 DOI: 10.1021/acs.joc.5b02716  1
2015 Zheng Q, Liu Y, Chen Q, Hu M, Helmy R, Sherer EC, Welch CJ, Chen H. Capture of Reactive Monophosphine-Ligated Palladium(0) Intermediates by Mass Spectrometry. Journal of the American Chemical Society. PMID 26498505 DOI: 10.1021/jacs.5b08905  1
2015 Meng D, Andre P, Bateman TJ, Berger R, Chen YH, Desai K, Dewnani S, Ellsworth K, Feng D, Geissler WM, Guo L, Hruza A, Jian T, Li H, Metzger J, ... ... Sherer EC, et al. Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorganic & Medicinal Chemistry Letters. PMID 26318999 DOI: 10.1016/j.bmcl.2015.07.078  1
2015 Lai Z, He S, Sherer EC, Wu Z, Yu Y, Ball R, Hong Q, Yang DX, Guo L, Li D, Tuang Q, Chicchi GG, Trusca D, Tsao KL, Zhou YP, et al. Discovery of substituted (4-phenyl-1H-imidazol-2-yl)methanamine as potent somatostatin receptor 3 agonists. Bioorganic & Medicinal Chemistry Letters. PMID 26199120 DOI: 10.1016/j.bmcl.2015.06.087  1
2015 Tyagarajan S, Lowden CT, Peng Z, Dykstra KD, Sherer EC, Krska SW. Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool. Journal of Chemical Information and Modeling. 55: 1130-5. PMID 26017267 DOI: 10.1021/acs.jcim.5b00162  1
2015 Shah SK, He S, Guo L, Truong Q, Qi H, Du W, Lai Z, Liu J, Jian T, Hong Q, Dobbelaar P, Ye Z, Sherer E, Feng Z, Yu Y, et al. Discovery of MK-1421, a Potent, Selective sstr3 Antagonist, as a Development Candidate for Type 2 Diabetes. Acs Medicinal Chemistry Letters. 6: 513-7. PMID 26005524 DOI: 10.1021/ml500514w  1
2015 Zhang T, Andre P, Bateman TJ, Chen YH, Desai K, Ellsworth K, Geissler WM, Guo L, Hruza A, Jian T, Meng D, Parker DL, Qian X, Reichert P, Sherer EC, et al. Development of a novel class of potent and selective FIXa inhibitors. Bioorganic & Medicinal Chemistry Letters. PMID 25978966 DOI: 10.1016/j.bmcl.2015.04.057  1
2015 Parker DL, Walsh S, Li B, Kim E, Sharipour A, Smith C, Chen YH, Berger R, Harper B, Zhang T, Park M, Shu M, Wu J, Xu J, Dewnani S, ... Sherer EC, et al. Rapid development of two factor IXa inhibitors from hit to lead. Bioorganic & Medicinal Chemistry Letters. 25: 2321-5. PMID 25937013 DOI: 10.1016/j.bmcl.2015.04.025  1
2015 Singh SB, Kaelin DE, Wu J, Miesel L, Tan CM, Black T, Nargund R, Meinke PT, Olsen DB, Lagrutta A, Lu J, Patel S, Rickert KW, Smith RF, Soisson S, ... Sherer E, et al. Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2). Bioorganic & Medicinal Chemistry Letters. 25: 1831-5. PMID 25851938 DOI: 10.1016/j.bmcl.2015.03.044  1
2015 Sherer EC, Cheeseman JR, Williamson RT. Absolute configuration of remisporines A & B. Organic & Biomolecular Chemistry. 13: 4169-73. PMID 25735997 DOI: 10.1039/c5ob00082c  1
2015 Saurí J, Bermel W, Buevich AV, Sherer EC, Joyce LA, Sharaf MHM, Schiff PL, Parella T, Williamson RT, Martin GE. Homodecoupled 1,1- and 1,n-ADEQUATE: Pivotal NMR Experiments for the Structure Revision of Cryptospirolepine Angewandte Chemie - International Edition. 54: 10160-10164. DOI: 10.1002/anie.201502540  1
2014 Li D, Wu Z, Yu Y, Ball RG, Guo L, Sherer E, He S, Hong Q, Lai Z, Qi H, Truong Q, Yang DX, Chicchi GG, Tsao KL, Trusca D, et al. Diamine Derivatives as Novel Small-Molecule, Potent, and Subtype-Selective Somatostatin SST3 Receptor Agonists. Acs Medicinal Chemistry Letters. 5: 690-5. PMID 24944745 DOI: 10.1021/ml500079u  1
2014 Sheridan RP, Zorn N, Sherer EC, Campeau LC, Chang CZ, Cumming J, Maddess ML, Nantermet PG, Sinz CJ, O'Shea PD. Modeling a crowdsourced definition of molecular complexity. Journal of Chemical Information and Modeling. 54: 1604-16. PMID 24802889 DOI: 10.1021/ci5001778  1
2014 Sherer EC, Lee CH, Shpungin J, Cuff JF, Da C, Ball R, Bach R, Crespo A, Gong X, Welch CJ. Systematic approach to conformational sampling for assigning absolute configuration using vibrational circular dichroism. Journal of Medicinal Chemistry. 57: 477-94. PMID 24383452 DOI: 10.1021/jm401600u  1
2014 Regalado EL, Sherer EC, Green MD, Hendersonl DW, Thomas Williamson R, Joyce LA, Welch CJ. Chromatographic separation and assignment of absolute configuration of hydroxywarfarin isomers. Chirality. 26: 95-101. PMID 24339228 DOI: 10.1002/chir.22274  1
2014 Joyce LA, Sherer EC, Welch CJ. Imine-based chiroptical sensing for analysis of chiral amines: From method design to synthetic application Chemical Science. 5: 2855-2861. DOI: 10.1039/c4sc01006j  1
2012 Vachal P, Miao S, Pierce JM, Guiadeen D, Colandrea VJ, Wyvratt MJ, Salowe SP, Sonatore LM, Milligan JA, Hajdu R, Gollapudi A, Keohane CA, Lingham RB, Mandala SM, DeMartino JA, ... ... Sherer EC, et al. 1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia. Journal of Medicinal Chemistry. 55: 2945-59. PMID 22364528 DOI: 10.1021/jm201542d  1
2012 Sherer EC, Verras A, Madeira M, Hagmann WK, Sheridan RP, Roberts D, Bleasby K, Cornell WD. QSAR prediction of passive permeability in the LLC-PK1 cell line: Trends in molecular properties and cross-prediction of Caco-2 permeabilities Molecular Informatics. 31: 231-245. DOI: 10.1002/minf.201100157  1
2011 Liu Z, Shultz CS, Sherwood CA, Krska S, Dormer PG, Desmond R, Lee C, Sherer EC, Shpungin J, Cuff J, Xu F. Highly enantioselective synthesis of anti aryl β-hydroxy α-amino esters via DKR transfer hydrogenation Tetrahedron Letters. 52: 1685-1688. DOI: 10.1016/j.tetlet.2011.01.146  1
2010 Sherer EC. Antibiotics targeting the ribosome. Structure-based design and the nobel prize Annual Reports in Computational Chemistry. 6: 141-166. DOI: 10.1016/S1574-1400(10)06009-3  1
2008 Sherer EC, Kirschner KN, Pickard FC, Rein C, Feldgus S, Shields GC. Efficient and accurate characterization of the Bergman cyclization for several enediynes including an expanded substructure of esperamicin A1. The Journal of Physical Chemistry. B. 112: 16917-34. PMID 19053814 DOI: 10.1021/jp807341t  1
2007 Kabelác M, Valdes H, Sherer EC, Cramer CJ, Hobza P. Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies. Physical Chemistry Chemical Physics : Pccp. 9: 5000-8. PMID 17851596 DOI: 10.1039/b707182e  1
2007 Kabelác M, Sherer EC, Cramer CJ, Hobza P. DNA base trimers: empirical and quantum chemical ab initio calculations versus experiment in vacuo. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 2067-77. PMID 17146828 DOI: 10.1002/chem.200601007  1
2007 Kabeláč M, Valdes H, Sherer EC, Cramer CJ, Hobza P. New MP2 database of nucleic acid base trimers: How well reproduce DFT methods structure and binding energies? Aip Conference Proceedings. 963: 1244-1247. DOI: 10.1063/1.2835974  1
2005 Giese TJ, Sherer EC, Cramer CJ, York DM. A Semiempirical Quantum Model for Hydrogen-Bonded Nucleic Acid Base Pairs. Journal of Chemical Theory and Computation. 1: 1275-85. PMID 26631671 DOI: 10.1021/ct050102l  1
2005 Giese TJ, Sherer EC, Cramer CJ, York DM. A semiempirical quantum model for hydrogen-bonded nucleic acid base pairs Journal of Chemical Theory and Computation. 1: 1275-1285. DOI: 10.1021/ct050102l  1
2004 Franceschi F, Kanyo Z, Sherer EC, Sutcliffe J. Macrolide resistance from the ribosome perspective. Current Drug Targets. Infectious Disorders. 4: 177-91. PMID 15379729 DOI: 10.2174/1568005043340740  1
2004 Sherer EC, Cramer CJ. Structural and dynamic variations in DNA hexamers containing T-T and F-F single and tandem internal mispairs Theoretical Chemistry Accounts. 111: 311-327.  1
2003 Sherer EC, York DM, Cramer CJ. Fast approximate methods for calculating nucleic acid base pair interaction energies. Journal of Computational Chemistry. 24: 57-67. PMID 12483675 DOI: 10.1002/jcc.10150  1
2003 Sherer EC, Cramer CJ. Quantum chemical characterization of methane metathesis in L2MCH3 (L = H, Cl, Cp, Cp*; M = Sc, Y, Lu) Organometallics. 22: 1682-1689. DOI: 10.1021/om0209632  1
2002 Sherer EC, Kinsinger CR, Kormos BL, Thompson JD, Cramer CJ. Electronic structure and bonding in hexacoordinate silyl-palladium complexes. Angewandte Chemie (International Ed. in English). 41: 1953-6. PMID 19750644 DOI: 10.1002/1521-3773(20020603)41:11<1953::AID-ANIE1953>3.0.CO;2-H  1
2002 Sherer EC, Cramer CJ. Internal loop-helix coupling in the dynamics of the RNA duplex (GC*C*AGUUCGCUGGC)2 Journal of Physical Chemistry B. 106: 5075-5085. DOI: 10.1021/jp014494d  1
2001 Cramer CJ, Kormos BL, Seierstad M, Sherer EC, Winget P. Biradical and zwitterionic cyclizations of oxy-substituted enyne-allenes. Organic Letters. 3: 1881-4. PMID 11405735 DOI: 10.1021/ol015935e  1
2001 Sherer EC, Bono SJ, Shields GC. Further quantum mechanical evidence that difluorotoluene does not hydrogen bond Journal of Physical Chemistry B. 105: 8445-8451. DOI: 10.1021/jp010197x  1
2001 Sherer EC, Cramer CJ. Quantum chemical characterization of the cytosine: 2-aminopurine base pair Journal of Computational Chemistry. 22: 1167-1179. DOI: 10.1002/jcc.1075  1
2000 Hannah DR, Sherer EC, Davies RV, Titman RB, Laughton CA, Stevens MF. Structural studies on bioactive compounds. Part 29: palladium catalysed arylations and alkynylations of sterically hindered immunomodulatory 2-amino-5-halo-4,6-(disubstituted)pyrimidines. Bioorganic & Medicinal Chemistry. 8: 739-50. PMID 10819163 DOI: 10.1016/S0968-0896(00)00017-1  1
2000 Soliva R, Sherer E, Luque FJ, Laughton CA, Orozco M. Molecular dynamics simulations of PNA·DNA and PNA·RNA duplexes in aqueous solution Journal of the American Chemical Society. 122: 5997-6008. DOI: 10.1021/ja000259h  1
1999 Cubero E, Sherer EC, Luque FJ, Orozco M, Laughton CA. Observation of spontaneous base pair breathing events in the molecular dynamics simulation of a difluorotoluene-containing DNA oligonucleotide [5] Journal of the American Chemical Society. 121: 8653-8654. DOI: 10.1021/ja991067t  1
1999 Sherer EC, Harris SA, Soliva R, Orozco M, Laughton CA. Molecular dynamics studies of DNA A-tract structure and flexibility Journal of the American Chemical Society. 121: 5981-5991. DOI: 10.1021/ja983715z  1
1997 Sherer EC, Yang G, Turner GM, Shields GC, Landry DW. Comparison of experimental and theoretical structures of a transition state analogue used for the induction of anti-cocaine catalytic antibodies Journal of Physical Chemistry A. 101: 8526-8529.  1
1996 Kirschner KN, Sherer EC, Shields GC. Use of the supermolecule approach to model the syn and anti conformations of solvated cyclic 3′,5′-adenosine monophosphate Journal of Physical Chemistry. 100: 3293-3298.  1
1995 Turner GM, Sherer EC, Shields GC. A computationally efficient procedure for modeling the first step in the alkaline hydrolysis of esters International Journal of Quantum Chemistry. 56: 103-112. DOI: 10.1002/qua.560560711  1
1995 Sherer EC, Turner GM, Shields GC. Investigation of the potential energy surface for the first step in the alkaline hydrolysis of methyl acetate International Journal of Quantum Chemistry. 56: 83-93. DOI: 10.1002/qua.560560709  1
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