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Thomas C. Bruice - Publications

Affiliations: 
University of California, Santa Barbara, Santa Barbara, CA, United States 
Area:
bioorganic and bioinorganic chemistry
Website:
http://www.chem.ucsb.edu/~tcb_group/tcb.htm

227 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
2012 Jain ML, Bruice PY, Szabó IE, Bruice TC. Incorporation of positively charged linkages into DNA and RNA backbones: a novel strategy for antigene and antisense agents. Chemical Reviews. 112: 1284-309. PMID 22074477 DOI: 10.1021/cr1004265  1
2012 Awad AM, Collazo MJ, Carpio K, Flores C, Bruice TC. A convenient synthesis of the cytidyl 3′-terminal monomer for solid-phase synthesis of RNG oligonucleotides Tetrahedron Letters. 53: 3792-3794. DOI: 10.1016/j.tetlet.2012.05.055  1
2010 Park M, Bruice TC. Development of potential anticancer agents that target the telomere sequence. Bioorganic & Medicinal Chemistry Letters. 20: 3982-6. PMID 20605447 DOI: 10.1016/j.bmcl.2010.04.089  1
2009 Luo J, Bruice TC. Envisioning the loop movements and rotation of the two subdomains of dihydrofolate reductase by elastic normal mode analysis. Journal of Biomolecular Structure & Dynamics. 27: 245-58. PMID 19795909 DOI: 10.1080/07391102.2009.10507313  1
2008 Park M, Bruice TC. Binding properties of positively charged deoxynucleic guanidine (DNG), AgTgAgTgAgT and DNG/DNA chimeras to DNA. Bioorganic & Medicinal Chemistry Letters. 18: 3488-91. PMID 18514514 DOI: 10.1016/j.bmcl.2008.05.030  1
2008 Zhang X, Bruice TC. Product specificity and mechanism of protein lysine methyltransferases: insights from the histone lysine methyltransferase SET8. Biochemistry. 47: 6671-7. PMID 18512960 DOI: 10.1021/bi800244s  1
2008 Zhang X, Bruice TC. Enzymatic mechanism and product specificity of SET-domain protein lysine methyltransferases. Proceedings of the National Academy of Sciences of the United States of America. 105: 5728-32. PMID 18391193 DOI: 10.1073/pnas.0801788105  1
2008 Park M, Canzio D, Bruice TC. Incorporation of positively charged ribonucleic guanidine linkages into oligodeoxyribonucleotides: Development of potent antisense agents. Bioorganic & Medicinal Chemistry Letters. 18: 2377-84. PMID 18353646 DOI: 10.1016/j.bmcl.2008.02.063  1
2008 Zhang X, Bruice TC. Mechanism of product specificity of AdoMet methylation catalyzed by lysine methyltransferases: transcriptional factor p53 methylation by histone lysine methyltransferase SET7/9. Biochemistry. 47: 2743-8. PMID 18260647 DOI: 10.1021/bi702370p  1
2008 Zhang X, Bruice TC. Complexation of single strand telomere and telomerase RNA template polyanions by deoxyribonucleic guanidine (DNG) polycations: plausible anticancer agents. Bioorganic & Medicinal Chemistry Letters. 18: 665-9. PMID 18063368 DOI: 10.1016/j.bmcl.2007.11.061  1
2007 Zhang X, Bruice TC. Histone lysine methyltransferase SET7/9: formation of a water channel precedes each methyl transfer. Biochemistry. 46: 14838-44. PMID 18044969 DOI: 10.1021/bi7014579  1
2007 Zhang X, Bruice TC. A quantum mechanics/molecular mechanics study of the catalytic mechanism and product specificity of viral histone lysine methyltransferase. Biochemistry. 46: 9743-51. PMID 17676763 DOI: 10.1021/bi700515q  1
2007 Zhang X, Bruice TC. Catalytic mechanism and product specificity of rubisco large subunit methyltransferase: QM/MM and MD investigations. Biochemistry. 46: 5505-14. PMID 17429949 DOI: 10.1021/bi700119p  1
2007 Zhang X, Bruice TC. Diels-Alder ribozyme catalysis: a computational approach. Journal of the American Chemical Society. 129: 1001-7. PMID 17243837 DOI: 10.1021/ja067416i  1
2007 Zhang X, Bruice TC. Temperature-dependent structure of the E x S complex of Bacillus stearothermophilus alcohol dehydrogenase. Biochemistry. 46: 837-43. PMID 17223705 DOI: 10.1021/bi062110+  1
2007 Zhang X, Reddy SY, Bruice TC. Mechanism of methanol oxidation by quinoprotein methanol dehydrogenase. Proceedings of the National Academy of Sciences of the United States of America. 104: 745-9. PMID 17215371 DOI: 10.1073/pnas.0610126104  1
2007 Luo J, Bruice TC. Low-frequency normal modes in horse liver alcohol dehydrogenase and motions of residues involved in the enzymatic reaction. Biophysical Chemistry. 126: 80-5. PMID 16737770 DOI: 10.1016/j.bpc.2006.05.009  1
2007 Toporowski JW, Reddy SY, Bruice TC. An investigation of the ionic and solvation patterns of dsDNG versus dsDNA by use of molecular dynamics simulations. Biophysical Chemistry. 126: 132-9. PMID 16527389 DOI: 10.1016/j.bpc.2006.02.006  1
2006 Zhang X, Bruice TC. Reaction mechanism of guanidinoacetate methyltransferase, concerted or step-wise. Proceedings of the National Academy of Sciences of the United States of America. 103: 16141-6. PMID 17053070 DOI: 10.1073/pnas.0607503103  1
2006 Kahane AL, Bruice TC. DNA sequence recognition in the minor groove by hairpin microgonotropens. Bioorganic & Medicinal Chemistry Letters. 16: 6255-61. PMID 17035007 DOI: 10.1016/j.bmcl.2006.09.032  1
2006 Jain ML, Bruice TC. Solid-phase synthesis of positively charged deoxynucleic guanidine (DNG) oligonucleotide incorporating 7-deazaguanine bases. Bioorganic & Medicinal Chemistry. 14: 7333-46. PMID 16945544 DOI: 10.1016/j.bmc.2006.05.074  1
2006 Bruice TC. Computational approaches: reaction trajectories, structures, and atomic motions. Enzyme reactions and proficiency. Chemical Reviews. 106: 3119-39. PMID 16895321 DOI: 10.1021/cr050283j  1
2006 Zhang X, Bruice TC. Temperature dependence of the structure of the substrate and active site of the Thermus thermophilus chorismate mutase E x S complex. Biochemistry. 45: 8562-7. PMID 16834330 DOI: 10.1021/bi0604227  1
2006 Correa BJ, Canzio D, Kahane AL, Reddy PM, Bruice TC. DNA sequence recognition by Hoechst 33258 conjugates of hairpin pyrrole/imidazole polyamides. Bioorganic & Medicinal Chemistry Letters. 16: 3745-50. PMID 16682192 DOI: 10.1016/j.bmcl.2006.04.047  1
2006 Zhang X, Bruice TC. The mechanism of M.HhaI DNA C5 cytosine methyltransferase enzyme: a quantum mechanics/molecular mechanics approach. Proceedings of the National Academy of Sciences of the United States of America. 103: 6148-53. PMID 16606828 DOI: 10.1073/pnas.0601587103  1
2006 Park M, Toporowski JW, Bruice TC. Ribonucleic guanidine demonstrates an unexpected marked preference for complementary DNA rather than RNA. Bioorganic & Medicinal Chemistry. 14: 1743-9. PMID 16288882 DOI: 10.1016/j.bmc.2005.10.028  1
2005 Zhang X, Bruice TC. The proficiency of a thermophilic chorismate mutase enzyme is solely through an entropic advantage in the enzyme reaction. Proceedings of the National Academy of Sciences of the United States of America. 102: 18356-60. PMID 16344484 DOI: 10.1073/pnas.0509234102  1
2005 Luo J, Bruice TC. Low-frequency normal mode in DNA HhaI methyltransferase and motions of residues involved in the base flipping. Proceedings of the National Academy of Sciences of the United States of America. 102: 16194-8. PMID 16236720 DOI: 10.1073/pnas.0507913102  1
2005 Reddy PM, Toporowski JW, Kahane AL, Bruice TC. Recognition of a 10 base pair sequence of DNA and stereochemical control of the binding affinity of chiral hairpin polyamide-Hoechst 33258 conjugates. Bioorganic & Medicinal Chemistry Letters. 15: 5531-6. PMID 16203135 DOI: 10.1016/j.bmcl.2005.08.076  1
2005 Bruice TC, Bruice PY. Covalent intermediates and enzyme proficiency. Journal of the American Chemical Society. 127: 12478-9. PMID 16144381 DOI: 10.1021/ja053714o  1
2005 Zhang X, Zhang X, Bruice TC. A definitive mechanism for chorismate mutase. Biochemistry. 44: 10443-8. PMID 16060652 DOI: 10.1021/bi050886p  1
2005 Park M, Bruice TC. Binding studies of cationic uridyl ribonucleic guanidine (RNG) to DNA. Bioorganic & Medicinal Chemistry Letters. 15: 3247-51. PMID 15935662 DOI: 10.1016/j.bmcl.2005.04.073  1
2005 Mazumder-Shivakumar D, Bruice TC. Computational study of IAG-nucleoside hydrolase: determination of the preferred ground state conformation and the role of active site residues. Biochemistry. 44: 7805-17. PMID 15909995 DOI: 10.1021/bi047394h  1
2005 Toporowski JW, Reddy SY, Bruice TC. Comparison of positively charged DNG with DNA duplexes: a computational approach. Bioorganic & Medicinal Chemistry. 13: 3691-8. PMID 15862998 DOI: 10.1016/j.bmc.2005.03.028  1
2005 Kahn K, Bruice TC. Focal-point conformational analysis of ethanol, propanol, and isopropanol. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 487-95. PMID 15799474 DOI: 10.1002/cphc.200400412  1
2005 Estabrook RA, Luo J, Purdy MM, Sharma V, Weakliem P, Bruice TC, Reich NO. Statistical coevolution analysis and molecular dynamics: identification of amino acid pairs essential for catalysis. Proceedings of the National Academy of Sciences of the United States of America. 102: 994-9. PMID 15657135 DOI: 10.1073/pnas.0409128102  1
2004 Valiña AL, Mazumder-Shivakumar D, Bruice TC. Probing the Ser-Ser-Lys catalytic triad mechanism of peptide amidase: computational studies of the ground state, transition state, and intermediate. Biochemistry. 43: 15657-72. PMID 15595822 DOI: 10.1021/bi049025r  1
2004 Reddy SY, Bruice TC. Mechanisms of ammonia activation and ammonium ion inhibition of quinoprotein methanol dehydrogenase: a computational approach. Proceedings of the National Academy of Sciences of the United States of America. 101: 15887-92. PMID 15520392 DOI: 10.1073/pnas.0407209101  1
2004 Mazumder-Shivakumar D, Bruice TC. Molecular dynamics studies of ground state and intermediate of the hyperthermophilic indole-3-glycerol phosphate synthase. Proceedings of the National Academy of Sciences of the United States of America. 101: 14379-84. PMID 15452341 DOI: 10.1073/pnas.0406002101  1
2004 Luo J, Bruice TC. Anticorrelated motions as a driving force in enzyme catalysis: the dehydrogenase reaction. Proceedings of the National Academy of Sciences of the United States of America. 101: 13152-6. PMID 15331786 DOI: 10.1073/pnas.0405502101  1
2004 Möbitz H, Bruice TC. Multiple substrate binding states and chiral recognition in cofactor-independent glutamate racemase: a molecular dynamics study. Biochemistry. 43: 9685-94. PMID 15274623 DOI: 10.1021/bi049580t  1
2004 Reddy SY, Bruice TC. Determination of enzyme mechanisms by molecular dynamics: studies on quinoproteins, methanol dehydrogenase, and soluble glucose dehydrogenase. Protein Science : a Publication of the Protein Society. 13: 1965-78. PMID 15273299 DOI: 10.1110/ps.04673404  1
2004 Szabo IE, Bruice TC. DNG cytidine: synthesis and binding properties of octameric guanidinium-linked deoxycytidine oligomer. Bioorganic & Medicinal Chemistry. 12: 4233-44. PMID 15246099 DOI: 10.1016/j.bmc.2004.05.010  1
2004 Reddy PM, Dexter R, Bruice TC. DNA sequence recognition in the minor groove by hairpin pyrrole polyamide-Hoechst 33258 analogue conjugate. Bioorganic & Medicinal Chemistry Letters. 14: 3803-7. PMID 15203166 DOI: 10.1016/j.bmcl.2004.04.089  1
2004 Mazumder-Shivakumar D, Kahn K, Bruice TC. Computational study of the ground state of thermophilic indole glycerol phosphate synthase: structural alterations at the active site with temperature. Journal of the American Chemical Society. 126: 5936-7. PMID 15137737 DOI: 10.1021/ja049512u  1
2004 Reddy PM, Bruice TC. Solid-phase synthesis of positively charged deoxynucleic guanidine (DNG) tethering a Hoechst 33258 analogue: triplex and duplex stabilization by simultaneous minor groove binding. Journal of the American Chemical Society. 126: 3736-47. PMID 15038726 DOI: 10.1021/ja031557s  1
2004 Challa H, Bruice TC. Deoxynucleic guanidine; synthesis and incorporation of purine nucleosides into positively charged DNG oligonucleotides. Bioorganic & Medicinal Chemistry. 12: 1475-81. PMID 15018921 DOI: 10.1016/j.bmc.2003.12.043  1
2004 Reddy SY, Bruice TC. Mechanism of glucose oxidation by quinoprotein soluble glucose dehydrogenase: insights from molecular dynamics studies. Journal of the American Chemical Society. 126: 2431-8. PMID 14982451 DOI: 10.1021/ja039722r  1
2004 Hur S, Newby ZE, Bruice TC. Transition state stabilization by general acid catalysis, water expulsion, and enzyme reorganization in Medicago savita chalcone isomerase. Proceedings of the National Academy of Sciences of the United States of America. 101: 2730-5. PMID 14978275 DOI: 10.1073/pnas.0308264100  1
2004 Kahn K, Bruice TC. Systematic convergence of energies with respect to basis set and treatment of electron correlation: Focal-point conformational analysis of methanol Theoretical Chemistry Accounts. 111: 18-24. DOI: 10.1007/s00214-003-0455-1  1
2003 Reddy SY, Obika S, Bruice TC. Conformations and dynamics of Ets-1 ETS domain-DNA complexes. Proceedings of the National Academy of Sciences of the United States of America. 100: 15475-80. PMID 14673097 DOI: 10.1073/pnas.1936251100  1
2003 Hur S, Bruice TC. The near attack conformation approach to the study of the chorismate to prephenate reaction. Proceedings of the National Academy of Sciences of the United States of America. 100: 12015-20. PMID 14523243 DOI: 10.1073/pnas.1534873100  1
2003 Hur S, Bruice TC. Just a near attack conformer for catalysis (chorismate to prephenate rearrangements in water, antibody, enzymes, and their mutants). Journal of the American Chemical Society. 125: 10540-2. PMID 12940735 DOI: 10.1021/ja0357846  1
2003 Torres RA, Himo F, Bruice TC, Noodleman L, Lovell T. Theoretical examination of Mg(2+)-mediated hydrolysis of a phosphodiester linkage as proposed for the hammerhead ribozyme. Journal of the American Chemical Society. 125: 9861-7. PMID 12904054 DOI: 10.1021/ja021451h  1
2003 Obika S, Reddy SY, Bruice TC. Sequence specific DNA binding of Ets-1 transcription factor: molecular dynamics study on the Ets domain--DNA complexes. Journal of Molecular Biology. 331: 345-59. PMID 12888343 DOI: 10.1016/S0022-2836(03)00726-5  1
2003 Reddy SY, Bruice TC. In silico studies of the mechanism of methanol oxidation by quinoprotein methanol dehydrogenase. Journal of the American Chemical Society. 125: 8141-50. PMID 12837084 DOI: 10.1021/ja034406y  1
2003 Reddy PM, Jindra PT, Satz AL, Bruice TC. Sequence selective recognition in the minor groove of dsDNA by pyrrole, imidazole-substituted bis-benzimidazole conjugates. Journal of the American Chemical Society. 125: 7843-8. PMID 12823002 DOI: 10.1021/ja035116k  1
2003 Mazumder D, Kahn K, Bruice TC. Computational study of ketosteroid isomerase: insights from molecular dynamics simulation of enzyme bound substrate and intermediate. Journal of the American Chemical Society. 125: 7553-61. PMID 12812495 DOI: 10.1021/ja030138s  1
2003 Hur S, Bruice TC. Comparison of formation of reactive conformers (NACs) for the Claisen rearrangement of chorismate to prephenate in water and in the E. coli mutase: the efficiency of the enzyme catalysis. Journal of the American Chemical Society. 125: 5964-72. PMID 12733937 DOI: 10.1021/ja0210648  1
2003 Reddy PM, Bruice TC. Solid-phase synthesis of positively charged deoxynucleic guanidine (DNG) oligonucleotide mixed sequences. Bioorganic & Medicinal Chemistry Letters. 13: 1281-5. PMID 12657264 DOI: 10.1016/S0960-894X(03)00119-7  1
2003 Hur S, Kahn K, Bruice TC. Comparison of formation of reactive conformers for the SN2 displacements by CH3CO2- in water and by Asp124-CO2- in a haloalkane dehalogenase. Proceedings of the National Academy of Sciences of the United States of America. 100: 2215-9. PMID 12610210 DOI: 10.1073/pnas.242721799  1
2003 Hur S, Bruice TC. Enzymes do what is expected (chalcone isomerase versus chorismate mutase). Journal of the American Chemical Society. 125: 1472-3. PMID 12568595 DOI: 10.1021/ja0293047  1
2003 Reddy SY, Mathews FS, Zheng YJ, Bruice TC. Quinoprotein methanol dehydrogenase: A molecular dynamics study and comparison with crystal structure Journal of Molecular Structure. 655: 269-277. DOI: 10.1016/S0022-2860(03)00257-6  1
2003 Kahn K, Bruice TC. Comparison of reaction energetics and leaving group interactions during the enzyme-catalyzed and uncatalyzed displacement of chloride from haloalkanes Journal of Physical Chemistry B. 107: 6876-6885.  1
2002 Luo J, Bruice TC. Ten-nanosecond molecular dynamics simulation of the motions of the horse liver alcohol dehydrogenase.PhCH2O- complex. Proceedings of the National Academy of Sciences of the United States of America. 99: 16597-600. PMID 12481026 DOI: 10.1073/pnas.262667599  1
2002 Mazumder D, Bruice TC. Exploring nucleoside hydrolase catalysis in silico: molecular dynamics study of enzyme-bound substrate and transition state. Journal of the American Chemical Society. 124: 14591-600. PMID 12465969 DOI: 10.1021/ja021088e  1
2002 Schiøtt B, Bruice TC. Reaction mechanism of soluble epoxide hydrolase: insights from molecular dynamics simulations. Journal of the American Chemical Society. 124: 14558-70. PMID 12465965 DOI: 10.1021/ja021021r  1
2002 Reddy SY, Kahn K, Zheng YJ, Bruice TC. Protein engineering of nitrile hydratase activity of papain: molecular dynamics study of a mutant and wild-type enzyme. Journal of the American Chemical Society. 124: 12979-90. PMID 12405824 DOI: 10.1021/ja020918l  1
2002 Mazumder D, Kahn K, Bruice TC. Computer simulations of trypanosomal nucleoside hydrolase: determination of the protonation state of the bound transition-state analogue. Journal of the American Chemical Society. 124: 8825-33. PMID 12137535 DOI: 10.1021/ja020312x  1
2002 Kahn K, Bruice TC. Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides. Journal of Computational Chemistry. 23: 977-96. PMID 12116403 DOI: 10.1002/jcc.10051  1
2002 Hur S, Bruice TC. Molecular dynamic study of orotidine-5'-monophosphate decarboxylase in ground state and in intermediate state: a role of the 203-218 loop dynamics. Proceedings of the National Academy of Sciences of the United States of America. 99: 9668-73. PMID 12107279 DOI: 10.1073/pnas.142307099  1
2002 Hur S, Bruice TC. The mechanism of cis-trans isomerization of prolyl peptides by cyclophilin. Journal of the American Chemical Society. 124: 7303-13. PMID 12071739 DOI: 10.1021/ja020222s  1
2002 Newby ZE, Lau EY, Bruice TC. A theoretical examination of the factors controlling the catalytic efficiency of the DNA-(adenine-N6)-methyltransferase from Thermus aquaticus. Proceedings of the National Academy of Sciences of the United States of America. 99: 7922-7. PMID 12060740 DOI: 10.1073/pnas.122231499  1
2002 White CM, Satz AL, Gawron LS, Bruice TC, Beerman TA. Inhibiting transcription factor/DNA complexes using fluorescent microgonotropens (FMGTs). Biochimica Et Biophysica Acta. 1574: 100-8. PMID 11955618 DOI: 10.1016/S0167-4781(01)00351-7  1
2002 Bruice TC. A view at the millennium: the efficiency of enzymatic catalysis. Accounts of Chemical Research. 35: 139-48. PMID 11900517 DOI: 10.1021/ar0001665  1
2002 Satz AL, Bruice TC. Recognition in the minor groove of double-stranded DNA by microgonotropens. Accounts of Chemical Research. 35: 86-95. PMID 11851386 DOI: 10.1021/ar0101032  1
2002 Hur S, Bruice TC. The mechanism of catalysis of the chorismate to prephenate reaction by the Escherichia coli mutase enzyme. Proceedings of the National Academy of Sciences of the United States of America. 99: 1176-81. PMID 11818529 DOI: 10.1073/pnas.022628599  1
2002 Satz AL, Bruice TC. Recognition of nine base pair sequences in the minor groove of DNA at subpicomolar concentrations by a novel microgonotropen. Bioorganic & Medicinal Chemistry. 10: 241-52. PMID 11741772 DOI: 10.1016/S0968-0896(01)00272-3  1
2002 Kojima N, Szabo IE, Bruice TC. Synthesis of ribonucleic guanidine: Replacement of the negative phosphodiester linkages of RNA with positive guanidinium linkages Tetrahedron. 58: 867-879. DOI: 10.1016/S0040-4020(01)01185-1  1
2001 Kahn K, Bruice TC. Diphtheria toxin catalyzed hydrolysis of NAD(+): molecular dynamics study of enzyme-bound substrate, transition state, and inhibitor. Journal of the American Chemical Society. 123: 11960-9. PMID 11724604 DOI: 10.1021/ja0113807  1
2001 Luo J, Bruice TC. Dynamic structures of horse liver alcohol dehydrogenase (HLADH): results of molecular dynamics simulations of HLADH-NAD(+)-PhCH(2)OH, HLADH-NAD(+)-PhCH(2)O(-), and HLADH-NADH-PhCHO. Journal of the American Chemical Society. 123: 11952-9. PMID 11724603 DOI: 10.1021/ja0109747  1
2001 Challa H, Bruice TC. Incorporation of positively charged deoxynucleic S-methylthiourea linkages into oligodeoxyribonucleotides. Bioorganic & Medicinal Chemistry Letters. 11: 2423-7. PMID 11549438 DOI: 10.1016/S0960-894X(01)00455-3  1
2001 White CM, Satz AL, Bruice TC, Beerman TA. Inhibition of transcription factor-DNA complexes and gene expression by a microgonotropen. Proceedings of the National Academy of Sciences of the United States of America. 98: 10590-5. PMID 11535831 DOI: 10.1073/pnas.191374698  1
2001 Lau EY, Bruice TC. The active site dynamics of 4-chlorobenzoyl-CoA dehalogenase. Proceedings of the National Academy of Sciences of the United States of America. 98: 9527-32. PMID 11493680 DOI: 10.1073/pnas.161282698  1
2001 Lau EY, Newby ZE, Bruice TC. A theoretical examination of the acid-catalyzed and noncatalyzed ring-opening reaction of an oxirane by nucleophilic addition of acetate. Implications to epoxide hydrolases. Journal of the American Chemical Society. 123: 3350-7. PMID 11457071 DOI: 10.1021/ja0037724  1
2001 Satz AL, Bruice TC. Recognition of nine base pairs in the minor groove of DNA by a tripyrrole peptide-Hoechst conjugate. Journal of the American Chemical Society. 123: 2469-77. PMID 11456914 DOI: 10.1021/ja003095d  1
2001 Linkletter BA, Szabo IE, Bruice TC. Solid-phase synthesis of oligopurine deoxynucleic guanidine (DNG) and analysis of binding with DNA oligomers. Nucleic Acids Research. 29: 2370-6. PMID 11376155  1
2001 Satz AL, White CM, Beerman TA, Bruice TC. Double-stranded DNA binding characteristics and subcellular distribution of a minor groove binding diphenyl ether bisbenzimidazole. Biochemistry. 40: 6465-74. PMID 11371210 DOI: 10.1021/bi0103415  1
2001 Zheng YJ, Xia Zx, Chen Zw, Mathews FS, Bruice TC. Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation. Proceedings of the National Academy of Sciences of the United States of America. 98: 432-4. PMID 11149955 DOI: 10.1073/pnas.021547498  1
2000 Bruice TC, Kahn K. Computational enzymology. Current Opinion in Chemical Biology. 4: 540-4. PMID 11006542 DOI: 10.1016/S1367-5931(00)00129-0  1
2000 Linkletter BA, Bruice TC. Solid-phase synthesis of positively charged deoxynucleic guanidine (DNG) modified oligonucleotides containing neutral urea linkages: effect of charge deletions on binding and fidelity. Bioorganic & Medicinal Chemistry. 8: 1893-901. PMID 11003133 DOI: 10.1016/S0968-0896(00)00146-2  1
2000 Kahn K, Bruice TC. Alpha-ketoamides and alpha-ketocarbonyls: conformational analysis and development of all-atom OPLS force field. Bioorganic & Medicinal Chemistry. 8: 1881-91. PMID 11003132 DOI: 10.1016/S0968-0896(00)00122-X  1
2000 Satz AL, Bruice TC. Synthesis of fluorescent microgonotropens (FMGTs) and their interactions with dsDNA. Bioorganic & Medicinal Chemistry. 8: 1871-80. PMID 11003131 DOI: 10.1016/S0968-0896(00)00116-4  1
2000 Lau EY, Kahn K, Bash PA, Bruice TC. The importance of reactant positioning in enzyme catalysis: a hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase. Proceedings of the National Academy of Sciences of the United States of America. 97: 9937-42. PMID 10963662  1
2000 Bruice TC, Benkovic SJ. Chemical basis for enzyme catalysis. Biochemistry. 39: 6267-74. PMID 10828939 DOI: 10.1021/bi0003689  1
2000 Kojima N, Bruice TC. Replacement of the phosphorodiester linkages of RNA with guanidinium linkages: the solid-phase synthesis of ribonucleic guanidine. Organic Letters. 2: 81-4. PMID 10814251  1
2000 Arya DP, Bruice TC. Solid-phase synthesis of oligomeric deoxynucleic-thiourea (DNT) and deoxynucleic S-methylthiourea (DNmt): a neutral/polycationic analogue of DNA. Bioorganic & Medicinal Chemistry Letters. 10: 691-3. PMID 10782665 DOI: 10.1016/S0960-894X(00)00085-8  1
2000 Adalsteinsson H, Bruice TC. Generation and evaluation of putative neuroregenerative drugs. Part 2: screening virtual libraries of novel polyketides which possess the binding domain of rapamycin. Bioorganic & Medicinal Chemistry. 8: 625-35. PMID 10732979 DOI: 10.1016/S0968-0896(99)00324-7  1
2000 Adalsteinsson H, Bruice TC. Generation and evaluation of putative neuroregenerative drugs. Part 1: virtual point mutations to the polyketide rapamycin. Bioorganic & Medicinal Chemistry. 8: 617-24. PMID 10732978 DOI: 10.1016/S0968-0896(99)00323-5  1
2000 Luo J, Bruice TC. Structural properties of hybrid triplex of polycation deoxyribonucleic S-methylthiourea (DNmt) strands with a complementary DNA strand, probed by nanosecond molecular dynamics. Journal of Biomolecular Structure & Dynamics. 17: 629-43. PMID 10698101 DOI: 10.1080/07391102.2000.10506554  1
2000 Torres RA, Bruice TC. The mechanism of phosphodiester hydrolysis: Near in-line attack conformations in the hammerhead ribozyme Journal of the American Chemical Society. 122: 781-791. DOI: 10.1021/ja993094p  1
2000 Kahn K, Bruice TC. Transition-state and ground-state structures and their interaction with the active-site residues in catechol O-methyltransferase Journal of the American Chemical Society. 122: 46-51. DOI: 10.1021/ja993084o  1
2000 Lau EY, Bruice TC. Comparison of the dynamics for ground-state and transition-state structures in the active site of catechol O-methyltransferase Journal of the American Chemical Society. 122: 7165-7171. DOI: 10.1021/ja000265d  1
2000 Barawkar DA, Kwok Y, Bruice TW, Bruice TC. Deoxynucleic guanidine/peptide nucleic acid chimeras: Synthesis, binding and invasion studies with DNA Journal of the American Chemical Society. 122: 5244-5250. DOI: 10.1021/ja000022l  0.72
1999 Satz AL, Bruice TC. Synthesis of a fluorescent microgonotropen (FMGT-1) and its interactions with the dodecamer d(CCGGAATTCCGG). Bioorganic & Medicinal Chemistry Letters. 9: 3261-6. PMID 10612581  1
1999 Torres RA, Bruice TC. Theoretical investigation of the [1,2]-sigmatropic hydrogen migration in the mechanism of oxidation of 2-aminobenzoyl-CoA by 2-aminobenzoyl-CoA monooxygenase/reductase. Proceedings of the National Academy of Sciences of the United States of America. 96: 14748-52. PMID 10611284 DOI: 10.1073/pnas.96.26.14748  1
1999 Lau EY, Bruice TC. Active site dynamics of the HhaI methyltransferase: insights from computer simulation. Journal of Molecular Biology. 293: 9-18. PMID 10512711 DOI: 10.1006/jmbi.1999.3120  1
1999 Lau EY, Bruice TC. Consequences of breaking the Asp-His hydrogen bond of the catalytic triad: effects on the structure and dynamics of the serine esterase cutinase. Biophysical Journal. 77: 85-98. PMID 10388742 DOI: 10.1016/S0006-3495(99)76874-8  1
1999 Arya DP, Bruice TC. Triple-helix formation of DNA oligomers with methylthiourea-linked nucleosides (DNmt): a kinetic and thermodynamic analysis. Proceedings of the National Academy of Sciences of the United States of America. 96: 4384-9. PMID 10200271 DOI: 10.1073/pnas.96.8.4384  1
1999 Arya DP, Bruice TC. Fidelity of deoxynucleic S-methythiourea (DNmt) binding to DNA oligomers: Influence of C mismatches Journal of the American Chemical Society. 121: 10680-10684. DOI: 10.1021/ja992871i  1
1999 Barawkar DA, Bruice TC. Deoxynucleic guanidines/PNA (DNG/PNA) chimeras: Oligonucleoside analogue containing cationic guanidinium and neutral amide linkages [2] Journal of the American Chemical Society. 121: 10418-10419. DOI: 10.1021/ja9923540  1
1999 Torres RA, Schiøtt B, Bruice TC. Molecular dynamics simulations of ground and transition states for the hydride transfer from formate to NAD+ in the active site of formate dehydrogenase Journal of the American Chemical Society. 121: 8164-8173. DOI: 10.1021/ja9912731  1
1999 Linkletter BA, Szabo IE, Bruice TC. Solid-phase synthesis of deoxynucleic guanidine (DNG) oligomers and melting point and circular dichroism analysis of binding fidelity of octameric thymidyl oligomers with DNA oligomers Journal of the American Chemical Society. 121: 3888-3896. DOI: 10.1021/ja984212w  1
1999 Blaskó A, Bruice TC. Recent studies of nucleophilic, general-acid, and metal ion catalysis of phosphate diester hydrolysis Accounts of Chemical Research. 32: 475-484. DOI: 10.1021/ar980060y  1
1999 Bruice TC, Lightstone FC. Ground state and transition state contributions to the rates of intramolecular and enzymatic reactions Accounts of Chemical Research. 32: 127-136. DOI: 10.1021/ar960131y  1
1999 Luo J, Kahn K, Bruice TC. The linear dependence of log(k(cat)/K(m)) for reduction of NAD+ by PhCH2OH on the distance between reactants when catalyzed by horse liver alcohol dehydrogenase and 203 single point mutants Bioorganic Chemistry. 27: 289-296. DOI: 10.1006/bioo.1999.1139  1
1998 Barawkar DA, Linkletter B, Bruice TC. Synthesis of protected guanidinium linked dinucleoside incorporable into an oligonucleotide using solid phase DNA methodology. Bioorganic & Medicinal Chemistry Letters. 8: 1517-20. PMID 9873381 DOI: 10.1016/S0960-894X(98)00251-0  1
1998 Linkletter BA, Bruice TC. Solid-phase synthesis of oligomeric deoxynucleic guanidine (DNG): a polycationic analogue of DNA. Bioorganic & Medicinal Chemistry Letters. 8: 1285-90. PMID 9871751 DOI: 10.1016/S0960-894X(98)00228-5  1
1998 Schiøtt B, Iversen BB, Madsen GK, Larsen FK, Bruice TC. On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions. Proceedings of the National Academy of Sciences of the United States of America. 95: 12799-802. PMID 9788994 DOI: 10.1073/pnas.95.22.12799  1
1998 Torres RA, Bruice TC. Molecular dynamics study displays near in-line attack conformations in the hammerhead ribozyme self-cleavage reaction. Proceedings of the National Academy of Sciences of the United States of America. 95: 11077-82. PMID 9736692 DOI: 10.1073/pnas.95.19.11077  1
1998 Barawkar DA, Bruice TC. Synthesis, biophysical properties, and nuclease resistance properties of mixed backbone oligodeoxynucleotides containing cationic internucleoside guanidinium linkages: deoxynucleic guanidine/DNA chimeras. Proceedings of the National Academy of Sciences of the United States of America. 95: 11047-52. PMID 9736687 DOI: 10.1073/pnas.95.19.11047  1
1998 Zheng YJ, Bruice TC. Role of a critical water in scytalone dehydratase-catalyzed reaction. Proceedings of the National Academy of Sciences of the United States of America. 95: 4158-63. PMID 9539706 DOI: 10.1073/pnas.95.8.4158  1
1998 Arya DP, Bruice TC. Positively charged deoxynucleic methylthioureas: Synthesis and binding properties of pentameric thymidyl methylthiourea Journal of the American Chemical Society. 120: 12419-12427. DOI: 10.1021/ja9829416  1
1998 Lau EY, Bruice TC. Importance of correlated motions in forming highly reactive near attack conformations in catechol O-methyltransferase Journal of the American Chemical Society. 120: 12387-12394. DOI: 10.1021/ja9827447  1
1998 Schiøtt B, Iversen BB, Madsen GKH, Bruice TC. Characterization of the short strong hydrogen bond in benzoylacetone by ab initio calculations and accurate diffraction experiments. Implications for the electronic nature of low-barrier hydrogen bonds in enzymatic reactions Journal of the American Chemical Society. 120: 12117-12124. DOI: 10.1021/ja982317t  1
1998 Schiøtt B, Zheng YJ, Bruice TC. Theoretical investigation of the hydride transfer from formate to NAD+ and the implications for the catalytic mechanism of formate dehydrogenase Journal of the American Chemical Society. 120: 7192-7200. DOI: 10.1021/ja9807338  1
1998 Arya DP, Bruice TC. Replacement of the negative phosphodiester linkages of DNA by positive S-methylthiourea tinkers: A novel approach to putative antisense agents Journal of the American Chemical Society. 120: 6619-6620. DOI: 10.1021/ja980629q  1
1998 Lightstone FC, Zheng YJ, Bruice TC. Molecular dynamics simulations of ground and transition states for the S(N)2 displacement of Cl- from 1,2-dichloroethane at the active site of Xanthobacter autotrophicus haloalkane dehalogenase Journal of the American Chemical Society. 120: 5611-5621. DOI: 10.1021/ja980162j  1
1998 Luo J, Bruice TC. Nanosecond molecular dynamics of hybrid triplex and duplex of polycation deoxyribonucleic guanidine strands with a complimentary DNA strand Journal of the American Chemical Society. 120: 1115-23. DOI: 10.1021/ja973337i  1
1998 Zheng YJ, Bruice TC. Rapid enzyme-catalyzed heterolytic C-H bond cleavage by a base strength amplification mechanism: A theoretical examination of the mechanism of oxidation of vitamin K Journal of the American Chemical Society. 120: 1623-1624. DOI: 10.1021/ja973140q  1
1998 Adalsteinsson H, Bruice TC. What is the mechanism of catalysis of ester aminolysis by weak amine bases? Comparison of experimental studies and theoretical investigation of the aminolysis of substituted phenyl esters of quinoline-6- and -8-carboxylic acids Journal of the American Chemical Society. 120: 3440-3447. DOI: 10.1021/ja972162+  1
1998 Lightstone FC, Bruice TC. Enthalpy and entropy in ring closure reactions Bioorganic Chemistry. 26: 193-199. DOI: 10.1006/bioo.1998.1096  1
1998 Lightstone FC, Zheng YJ, Bruice TC. The structures of the enzyme-substrate complex and transition state formed in the S(N)2 displacement of Cl- from 1,2-dichloroethane at the active site of Xanthobacter autotrophicus haloalkane dehalogenase Bioorganic Chemistry. 26: 169-174. DOI: 10.1006/bioo.1998.1093  1
1997 Zheng YJ, Bruice TC. Conformation of coenzyme pyrroloquinoline quinone and role of Ca2+ in the catalytic mechanism of quinoprotein methanol dehydrogenase. Proceedings of the National Academy of Sciences of the United States of America. 94: 11881-6. PMID 9342331 DOI: 10.1073/pnas.94.22.11881  1
1997 Lightstone FC, Zheng YJ, Maulitz AH, Bruice TC. Non-enzymatic and enzymatic hydrolysis of alkyl halides: a haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an SN2 displacement reaction. Proceedings of the National Academy of Sciences of the United States of America. 94: 8417-20. PMID 9237991 DOI: 10.1073/pnas.94.16.8417  1
1997 Blaskó A, Minyat EE, Dempcy RO, Bruice TC. Fidelity of binding of the guanidinium nucleic acid (DNG) d(Tg)4-T-azido with short strand DNA oligomers (A5G3A5, GA4G3A4G, G2A3G3A3G2, G2A2G5A2G2). A kinetic and thermodynamic study. Biochemistry. 36: 7821-31. PMID 9201925 DOI: 10.1021/bi970064v  1
1997 Maulitz AH, Lightstone FC, Zheng YJ, Bruice TC. Nonenzymatic and enzymatic hydrolysis of alkyl halides: a theoretical study of the SN2 reactions of acetate and hydroxide ions with alkyl chlorides. Proceedings of the National Academy of Sciences of the United States of America. 94: 6591-5. PMID 9192609 DOI: 10.1073/pnas.94.13.6591  1
1997 Bruice TC, Sengupta D, Blaskó A, Chiang SY, Beerman TA. A microgonotropen branched decaaza decabutylamine and its DNA and DNA/transcription factor interactions. Bioorganic & Medicinal Chemistry. 5: 685-92. PMID 9158867 DOI: 10.1016/S0968-0896(97)00011-4  1
1997 Zheng YJ, Bruice TC. Is strong hydrogen bonding in the transition state enough to account for the observed rate acceleration in a mutant of papain? Proceedings of the National Academy of Sciences of the United States of America. 94: 4285-8. PMID 9113981 DOI: 10.1073/pnas.94.9.4285  1
1997 Chiang SY, Bruice TC, Azizkhan JC, Gawron L, Beerman TA. Targeting E2F1-DNA complexes with microgonotropen DNA binding agents. Proceedings of the National Academy of Sciences of the United States of America. 94: 2811-6. PMID 9096302 DOI: 10.1073/pnas.94.7.2811  1
1997 Zheng YJ, Bruice TC. A theoretical examination of the factors controlling the catalytic efficiency of a transmethylation enzyme: Catechol O-methyltransferase Journal of the American Chemical Society. 119: 8137-8145. DOI: 10.1021/ja971019d  1
1997 Lightstone FC, Bruice TC. Separation of ground state and transition state effects in intramolecular and enzymatic reactions. 2. A theoretical study of the formation of transition states in cyclic anhydride formation Journal of the American Chemical Society. 119: 9103-9113. DOI: 10.1021/ja970982g  1
1997 Luo J, Bruice TC. Nanosecond molecular dynamics study of a polycation ribonucleic guanidine (RNG) duplexed with a complementary DNA oligomer strand Journal of the American Chemical Society. 119: 6693-6701. DOI: 10.1021/ja970188v  1
1997 Zheng YJ, Bruice TC. On the dehalogenation mechanism of 4-chlorobenzoyl CoA by 4- chlorobenzoyl CoA dehalogenase: Insights from study based on the nonenzymatic reaction Journal of the American Chemical Society. 119: 3868-3877. DOI: 10.1021/ja970114j  1
1997 Bruice TC, Yip YC, Blaskó A, Lightstone FC, Browne KA, Petyak ME, Luo J. Design, synthesis, and characterization of a novel hexa-azacyclophane and interactions with d(CGCA3T3GCG)2, ctDNA and T4DNA Tetrahedron. 53: 8105-8120. DOI: 10.1016/S0040-4020(97)00501-2  1
1997 Zheng YJ, Bruice TC. Identifying the intermediate in the dioxygen transfer from 4a- hydroperoxyflavin anion to phenolate and indole anions Bioorganic Chemistry. 25: 331-336. DOI: 10.1006/bioo.1997.1075  1
1996 Sengupta D, Blaskó A, Bruice TC. A microgonotropen pentaaza pentabutylamine and its interactions with DNA. Bioorganic & Medicinal Chemistry. 4: 803-13. PMID 8818229 DOI: 10.1016/0968-0896(96)00070-3  1
1996 Olson LP, Luo J, Almarsson O, Bruice TC. Mechanism of aldehyde oxidation catalyzed by horse liver alcohol dehydrogenase. Biochemistry. 35: 9782-91. PMID 8703951 DOI: 10.1021/bi952020x  1
1996 Torres RA, Almarsson O, Bruice TC. Molecular mechanics calculations of the riboacetal internucleotide linkage in double and triple helices. Proceedings of the National Academy of Sciences of the United States of America. 93: 6875-80. PMID 8692911 DOI: 10.1073/pnas.93.14.6875  1
1996 Dempcy RO, Luo J, Bruice TC. Design and synthesis of ribonucleic guanidine: a polycationic analog of RNA. Proceedings of the National Academy of Sciences of the United States of America. 93: 4326-30. PMID 8633064 DOI: 10.1073/pnas.93.9.4326  1
1996 Torres RA, Bruce TC. Interresidue hydrogen bonding in a peptide nucleic acid.RNA heteroduplex. Proceedings of the National Academy of Sciences of the United States of America. 93: 649-53. PMID 8570609 DOI: 10.1073/pnas.93.2.649  1
1996 Blaskó A, Dempcy RO, Minyat EE, Bruice TC. Association of short-strand DNA oligomers with guanidinium-linked nucleosides. A kinetic and thermodynamic study Journal of the American Chemical Society. 118: 7892-7889. DOI: 10.1021/ja961308m  1
1996 Bruice TC, Tsubouchi A, Dempcy RO, Olson LP. One- and two-metal ion catalysis of the hydrolysis of adenosine 3'-alkyl phosphate esters. Models for one- and two-metal ion catalysis of RNA hydrolysis Journal of the American Chemical Society. 118: 9867-9875. DOI: 10.1021/ja9607300  1
1996 Adalsteinsson H, Maulitz AH, Bruice TC. Calculation of the potential energy surface for intermolecular amide hydrogen bonds using semiempirical and ab initio methods Journal of the American Chemical Society. 118: 7689-7693. DOI: 10.1021/ja954267n  1
1996 Zhang HY, Bruice TC. The kinetic influence of increasing steric hindrance to metallation by zinc (II) which accompanies the inclusion of 5,10,15,20-meso(tetraphenyl) porphyrin into capped and quadruply bridged closely spaced bis-porphyrin structures Inorganica Chimica Acta. 247: 195-202. DOI: 10.1016/0020-1693(95)04954-1  1
1996 Lightstone FC, Bruice TC. Ground state conformations and entropic and enthalpic factors in the efficiency of intramolecular and enzymatic reactions. 1. Cyclic anhydride formation by substituted glutarates, succinate, and 3,6-endoxo-Δ4-tetrahydrophthalate monophenyl esters Journal of the American Chemical Society. 118: 2595-2605.  1
1995 Blaskó A, Browne KA, Bruice TC. NMR structure of d(CGCA3T3GCG)2:tren-microgonotropen-b:Zn(II) complex and solution studies of metal ion complexes of tren-microgonotropen-b interacting with DNA. Bioorganic & Medicinal Chemistry. 3: 1563. PMID 8634836  1
1995 Olson LP, Bruice TC. Electron tunneling and ab initio calculations related to the one-electron oxidation of NAD(P)H bound to catalase. Biochemistry. 34: 7335-47. PMID 7779776  1
1995 Xue T, Browne KA, Bruice TC. A Novel Minor Groove Binding Reagent Designed to Serve as a "Truck" to Carry DNA Modifying Moieties into the Major Groove. Bioconj. Chem. 6: 82-87. PMID 7711109 DOI: 10.1021/bc00031a009  0.72
1995 Xue T, Browne KA, Bruice TC. A novel minor groove binding reagent designed to serve as a "truck" to carry DNA modifying moieties into the major groove. Bioconjugate Chemistry. 6: 82-7. PMID 7711109  1
1995 Dempcy RO, Browne KA, Bruice TC. Synthesis of a thymidyl pentamer of deoxyribonucleic guanidine and binding studies with DNA homopolynucleotides. Proceedings of the National Academy of Sciences of the United States of America. 92: 6097-101. PMID 7597087 DOI: 10.1073/pnas.92.13.6097  1
1995 Blaskó A, Browne KA, Bruice TC. NMR structure of d(CGCA3T3GCG)2:tren-microgonotropen-b:Zn(II) complex and solution studies of metal ion complexes of tren-microgonotropen-b interacting with DNA. Bioorganic & Medicinal Chemistry. 3: 631-46. PMID 7582942 DOI: 10.1016/0968-0896(95)00051-H  1
1995 Blaskó A, Browne KA, Bruice TC. NMR structure of d(CGCA3T3GCG)2:tren-microgonotropen-b:Zn(II) complex and solution studies of metal ion complexes of tren-microgonotropen-b interacting with DNA. Bioorg. Med. Chem. 3: 631-646. PMID 7582942 DOI: 10.1016/0968-0896(95)00051-H  1
1995 Browne KA, Dempcy RO, Bruice TC. Binding studies of cationic thymidyl deoxyribonucleic guanidine to RNA homopolynucleotides. Proceedings of the National Academy of Sciences of the United States of America. 92: 7051-5. PMID 7542784 DOI: 10.1073/pnas.92.15.7051  1
1995 Dempcy RO, Browne KA, Bruice TC. Synthesis of the polycation thymidyl DNG, its fidelity in binding polyanionic DNA/RNA, and the stability and nature of the hybrid complexes Journal of the American Chemical Society. 117: 6140-6141. DOI: 10.1021/ja00127a035  1
1995 Bruice TC, Blaskó A, Arasasingham RD, Kim JS. Participation of two carboxyl groups in phosphodiester hydrolysis. 2. A kinetic, isotopic, and 31P NMR study of the hydrolysis of a phosphodiester with carboxyl groups fixed in an attack conformation Journal of the American Chemical Society. 117: 12070-12077.  1
1995 Bruice TC, Blaskó A, Petyak ME. Participation of two carboxyl groups in phosphodiester hydrolysis. 1. hydrolysis of bis(2-carboxyphenyl) phosphate Journal of the American Chemical Society. 117: 12064-12069.  1
1995 Tsubouchi A, Bruice TC. Phosphonate ester hydrolysis catalyzed by two lanthanum ions. Intramolecular nucleophilic attack of coordinated hydroxide and Lewis acid activation Journal of the American Chemical Society. 117: 7399-7411.  1
1995 Almarsson Ö, Bruice TC. A homolytic mechanism of O-O bond scission prevails in the reactions of alkyl hydroperoxides with an octacationic tetraphenylporphinato-iron(III) complex in aqueous solution Journal of the American Chemical Society. 117: 4533-4544.  1
1995 Almarsson Ö, Adalsteinsson H, Bruice TC. Synthesis and characterization of an octacationic iron(III) tetraphenylporphyrin, which Is soluble in water and N non-μ-oxo dimer forming Journal of the American Chemical Society. 117: 4524-4532.  1
1995 Bruice TC, Blaskó A, Arasasingham RD, Kim JS, Petyak ME. Hydrolysis of a phosphate diester by simultaneous carboxylate and carboxyl group participation in a rigid system with kinetically unfavorable rotamers frozen out Journal of the American Chemical Society. 117: 3639-3640.  1
1994 Dempcy RO, Almarsson O, Bruice TC. Design and synthesis of deoxynucleic guanidine: a polycation analogue of DNA. Proceedings of the National Academy of Sciences of the United States of America. 91: 7864-8. PMID 8058725 DOI: 10.1073/pnas.91.17.7864  1
1994 Hansma HG, Browne KA, Bezanilla M, Bruice TC. Bending and Straightening of DNA Induced by the Same Ligand: Characterization with the Atomic Force Microscope. Biochemistry. 33: 8436-8441. PMID 8031778 DOI: 10.1021/bi00194a007  0.72
1994 Hansma HG, Browne KA, Bezanilla M, Bruice TC. Bending and straightening of DNA induced by the same ligand: characterization with the atomic force microscope. Biochemistry. 33: 8436-41. PMID 8031778  1
1994 Tsubouchi A, Bruice TC. Remarkable (∼1013) rate enhancement in phosphonate ester hydrolysis catalyzed by two metal ions Journal of the American Chemical Society. 116: 11614-11615.  1
1994 Lightstone FC, Bruice TC. Geminal-dialkyl substitution, intramolecular reactions, and enzyme efficiency Journal of the American Chemical Society. 116: 10789-10790.  1
1994 Dempcy RO, Bruice TC. The negative charge of alkyl phosphate diesters and the slow-gaited hydrolysis of RNA and DNA. Catalysis of RNA hydrolysis through metal ion ligation to the ester >PO2- moiety Journal of the American Chemical Society. 116: 4511-4512.  1
1994 He GX, Browne KA, Blaskó A, Bruice TC. Microgonotropens and their interactions with DNA. 4.1 Synthesis of the tripyrrole peptides tren-microgonotropen-a and -b and characterization of their interactions with dsDNA Journal of the American Chemical Society. 116: 3716-3725.  1
1994 Blaskó A, Browne KA, Bruice TC. Microgonotropens and their interactions with DNA. 5.1 Structural characterization of the 1:1 complex of d(CGCAAATTTGCG)2 and tren-microgonotropen-b by 2D NMR spectroscopy and restrained molecular modeling Journal of the American Chemical Society. 116: 3726-3737.  1
1993 Almarsson O, Bruice TC. Peptide nucleic acid (PNA) conformation and polymorphism in PNA-DNA and PNA-RNA hybrids. Proceedings of the National Academy of Sciences of the United States of America. 90: 9542-6. PMID 8415738 DOI: 10.1073/pnas.90.20.9542  1
1993 Almarsson O, Bruice TC, Kerr J, Zuckermann RN. Molecular mechanics calculations of the structures of polyamide nucleic acid DNA duplexes and triple helical hybrids. Proceedings of the National Academy of Sciences of the United States of America. 90: 7518-22. PMID 8356048  1
1993 Hansma HG, Sinsheimer RL, Groppe J, Bruice TC, Elings V, Gurley G, Bezanilla M, Mastrangelo IA, Hough PV, Hansma PK. Recent advances in atomic force microscopy of DNA. Scanning. 15: 296-9. PMID 8269178  1
1993 Blaskó A, Bruice TC. Stoichiometry and structure of complexes of DNA oligomers with microgonotropens and distamycin by 1H NMR spectroscopy and molecular modeling. Proceedings of the National Academy of Sciences of the United States of America. 90: 10018-22. PMID 7694277  1
1993 Almarsson O, Blaskó A, Bruice TC. Studies on a hydrocarbon capped free base tetraphenylporphyrin and its conjugate acids - first observation of a monoprotonated tetrapehylporphyrin &{;CapTPP(H3+)CF3CO2-&}; Tetrahedron. 49: 10239-10252. DOI: 10.1016/S0040-4020(01)80553-6  1
1993 He GX, Blasko A, Bruice TC. 1H NMR study of the rates and isotope effects of the NADH model hydride transfer reaction Bioorganic Chemistry. 21: 423-430. DOI: 10.1006/bioo.1993.1036  1
1993 Blaskó A, Garcia B, Bruice TC. Pendant-capped porphyrins. 2. Structural analysis and dynamics of the biphenyl pendant-capped porphyrin model of catalase and its Fe(III) complex by one- and two-dimensional 1H NMR spectroscopy and distance geometry/molecular modeling refinement Journal of Organic Chemistry. 58: 5738-5747.  1
1993 Jeon S, Almarsson O, Karaman R, Blaskó A, Bruice TC. Symmetrical and unsymmetrical quadruply aza-bridged closely interspaced cofacial bis(5,10,15,20-tetraphenylporphyrins). 4. Structure and conformational effects on electrochemistry and the catalysis of electrochemical reduction of dioxygen by doubly, triply, and quadruply N,N-dimethylene sulfonamide bridged dimeric bis(cobalt tetraphenylporphyrins) Inorganic Chemistry. 32: 2562-2569.  1
1993 Karaman R, He GX, Chu F, Blaskó A, Bruice TC. Opening of a cyclopropyl ring in (Diphenylcyclopropyl)alkenes promoted by electron transfer from potassium 4,4′-di-tert-butylbiphenyl radical anion and X-ray and theoretical calculations of the structure of (Z)-1,2-bis(trans-2,trans-3-diphenylcyclopropyl)ethene Journal of Organic Chemistry. 58: 438-443.  1
1993 Arasasingham RD, He GX, Bruice TC. Mechanism of manganese porphyrin-catalyzed oxidation of alkenes. Role of manganese(IV)-oxo species Journal of the American Chemical Society. 115: 7985-7991.  1
1993 Blaskó A, Browne KA, He GX, Bruice TC. Microgonotropens and their interactions with DNA. 3. Structural analysis of the 1:1 complex of d(CGCAAATTTGCG)2 and dien-microgonotropen-c by 2D NMR spectroscopy and restrained molecular modeling Journal of the American Chemical Society. 115: 7080-7092.  1
1993 He GX, Browne KA, Groppe JC, Blaskó A, Mei HY, Bruice TC. Microgonotropens and their interactions with DNA. I. Synthesis of the tripyrrole peptides dien-microgonotropen-a, -b, and -c and characterization of their interactions with dsDNA Journal of the American Chemical Society. 115: 7061-7071.  1
1993 Almarsson O, Sinha A, Gopinath E, Bruice TC. Mechanism of one-electron oxidation of NAD(P)H and function of NADPH bound to catalase Journal of the American Chemical Society. 115: 7093-7102.  1
1993 Almarsson Ö, Bruice TC. Evaluation of the factors influencing reactivity and stereospecificity in NAD(P)H dependent dehydrogenase enzymes Journal of the American Chemical Society. 115: 2125-2138.  1
1993 Browne KA, He GX, Bruice TC. Microgonotropens and their interactions with DNA. 2. Quantitative evaluation of equilibrium constants for 1:1 and 2:1 binding of dien- microgonotropen-a, -b, and -c as well as distamycin and Hoechst 33258 to d(GGCGCAAATTTGGCGG)/d(CCGCCAAATTTGCGCC) Journal of the American Chemical Society. 115: 7072-7079.  1
1992 Bruice TC, Mei HY, He GX, Lopez V. Rational design of substituted tripyrrole peptides that complex with DNA by both selective minor-groove binding and electrostatic interaction with the phosphate backbone. Proceedings of the National Academy of Sciences of the United States of America. 89: 1700-4. PMID 1542663  1
1992 Arasasingham RD, Jeon S, Bruice TC. Dynamics of the reactions of [meso-tetrakis(2,6-dimethyl-3-sulfonatophenyl)porphinato]-manganese(III) hydrate with various alkyl hydroperoxides in aqueous solution. Product studies and comparison of kinetic parameters Journal of the American Chemical Society. 114: 2536-2544.  1
1992 Karaman R, Jeon S, Aknarsson O, Bruice TC. Symmetrical and unsymmetrical quadruply Aza bridged closely interspaced cofacial Bis(5,10,15,20-tetraphenylporphyrin)s. 3. Interplanar distances, 1H NMR chemical shifts, and the catalysis of the electrochemical reduction of oxygen Journal of the American Chemical Society. 114: 4899-4905.  1
1992 Almarsson Ö, Karaman R, Bruice TC. Kinetic importance of conformations of nicotinamide adenine dinucleotide in the reactions of dehydrogenase enzymes Journal of the American Chemical Society. 114: 8702-8704.  1
1992 Karaman R, Blaskó A, Almarsson Ö, Arasasingham R, Bruice TC. Symmetrical and unsymmetrical quadruply Aza bridged closely interspaced cofacial Bis(5,10,15,20-tetraphenylporphyrin)s. 2. Synthesis, characterization, and conformational effects of solvents Journal of the American Chemical Society. 114: 4889-4898.  1
1992 Karaman R, Almarsson Ö, Bruice TC. A molecular dynamics approach to the study of symmetrical and unsymmetrical quadruply bridged, closely interspaced cofacial tetraphenylporphyrin dimers Journal of Organic Chemistry. 57: 1555-1559.  1
1992 Jeon S, Bruice TC. Redox chemistry of water-soluble iron, manganese, and chromium metalloporphyrins and acid-base behavior of their lyate axial ligands in aqueous solution: Influence of electronic effects Inorganic Chemistry. 31: 4843-4848.  1
1992 Karaman R, Almarsson Ö, Blaskó A, Bruice TC. Design, synthesis, and characterization of a "shopping basket" bis-porphyrin. The first examples of triply bridged closely interspaced cofacial porphyrin dimers Journal of Organic Chemistry. 57: 2169-2173.  1
1989 Mei HY, Kaaret TW, Bruice TC. A computational approach to the mechanism of self-cleavage of hammerhead RNA. Proceedings of the National Academy of Sciences of the United States of America. 86: 9727-31. PMID 2602373  0.52
1988 Nakagaki PC, Calderwood TS, Bruice TC. Relevance of the reaction of a manganese(III) chelate with hydroxide ion to photosynthesis: Reaction of hydroxide ion with 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphinatomanganese(III) in ligating and nonligating solvents. Proceedings of the National Academy of Sciences of the United States of America. 85: 5424-8. PMID 16593963  0.48
1986 Bruice TC, Zipplies MF, Lee WA. The pH dependence of the mechanism of reaction of hydrogen peroxide with a nonaggregating, non-mu-oxo dimer-forming iron (III) porphyrin in water. Proceedings of the National Academy of Sciences of the United States of America. 83: 4646-9. PMID 3460064  0.6
1985 Conlin M, Forrest HS, Bruice TC. Replacement of methoxatin by 4,7-phenanthroline-5,6-dione and the inability of other phenanthroline quinones, as well as 7,9-di-decarboxy methoxatin, to serve as cofactors for the methoxatin-requiring glucose dehydrogenase of Acinetobacter calcoaceticus Biochemical and Biophysical Research Communications. 131: 564-566. PMID 4052066 DOI: 10.1016/0006-291X(85)91273-2  1
1985 Lee WA, Calderwood TS, Bruice TC. Stabilization of higher-valent states of iron porphyrin by hydroxide and methoxide ligands: electrochemical generation of iron(IV)-oxo porphyrins. Proceedings of the National Academy of Sciences of the United States of America. 82: 4301-5. PMID 3859865  0.6
1985 Edmondson DE, Bruice TC. N-nitrosodialkylamines do not function as substrates for liver monoamine oxidase Proceedings of the National Academy of Sciences of the United States of America. 82: 682-683. PMID 3856221  1
1982 Eckert TS, Bruice TC, Gainor JA, Weinreb SM. Some electrochemical and chemical properties of methoxatin and analogous quinoquinones. Proceedings of the National Academy of Sciences of the United States of America. 79: 2533-6. PMID 6953411  1
1978 Bruice PY, Wilson SC, Bruice TC. Inactivation of glyceraldehyde-3-phosphate dehydrogenase and yeast alcohol dehydrogenase by arene oxides. Biochemistry. 17: 1662-9. PMID 26383 DOI: 10.1021/BI00602A013  1
1977 Chan RL, Bruice TC. The chemistry of an electron-deficient 5-deazaflavin. 8-Cyano-10-methyl-5-deazaisoalloxazine Journal of the American Chemical Society. 99: 6721-6730. PMID 893901 DOI: 10.1021/ja00462a041  1
1977 Williams RF, Shinkai SS, Bruice TC. Kinetics and mechanisms of the 1,5-dihydroflavin reduction of carbonyl compounds and the flavin oxidation of alcohols. 4. Interconversion of formaldehyde and methanol. Journal of the American Chemical Society. 99: 921-31. PMID 556747  0.4
1975 Smith SB, Bruice TC. Mechanisms of isoalloxazine (flavine) hydrolysis Journal of the American Chemical Society. 97: 2875-2881. PMID 1133340 DOI: 10.1021/JA00843A043  1
1975 Williams RF, Shinkai S, Bruice TC. Radical mechanisms for 1,5-dihydroflavin reduction of carbonyl compounds. Proceedings of the National Academy of Sciences of the United States of America. 72: 1763-7. PMID 240160  1
1974 Shinkai S, Kunitake T, Bruice TC. Letter: The importance of 1,2-enediols in the reduction of lumiflavin by alpha-ketols. Journal of the American Chemical Society. 96: 7140-1. PMID 4436512  1
1973 Dixon JE, Bruice TC. Comparison of the rate constants for general base catalyzed prototropy and racemization of the aldimine species formed from 3-hydroxypyridine-4-carboxaldehyde and alanine. Biochemistry. 12: 4762-6. PMID 4773854  1
1973 Bruice TC, Hevesi L, Shinkai S. Mechanisms of formation and equilibria of 4a and 5 adducts of an isoalloxazine. Reaction of 10-(2',6'-dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate with sulfite in aqueous media. Biochemistry. 12: 2083-9. PMID 4705987  1
1973 Dunn BM, Bruice TC. Physical organic models for the mechanism of lysozyme action Advances in Enzymology and Related Areas of Molecular Biology. 37: 1-60. PMID 4570067  1
1973 Shinkai S, Bruice TC. Model reactions which establish a facile reduction of pyridoxal phosphate and analogs by 1,4-dihydropyridines. Biochemistry. 12: 1750-9. PMID 4266946  1
1972 Shinkai S, Bruice TC. Reduction of pyridoxal phosphate (and analogs) by 1,4-dihydropyridine. Journal of the American Chemical Society. 94: 8258. PMID 5079969  1
1971 Pratt RF, Bruice TC. Reactions of S-acylisothioureas. I. S- to N-acyl migrations in S-benzoylisothiobiotin and analogs Biochemistry. 10: 3178-3185. PMID 5119245 DOI: 10.1021/BI00793A003  1
1970 Bruice TC, Hegarty AF. Biotin-bound CO2 and the mechanism of enzymatic carboxylation reactions. Proceedings of the National Academy of Sciences of the United States of America. 65: 805-9. PMID 5266151 DOI: 10.1073/PNAS.65.4.805  1
1967 Bruice TC, Holmquist B. The question of the importance of electrostatic catalysis. I. Comparison of the reactivity of o-nitrophenyl hydrogen oxalate and ethyl o-nitrophenyl oxalate toward nucleophiles Journal of the American Chemical Society. 89: 4028-4034. PMID 6045604  1
1967 Bruice TC, Holmquist B, Stein TP. The reaction of ribonuclease-A with o-nitrophenyl hydrogen oxalate [7] Journal of the American Chemical Society. 89: 4221-4222.  1
1965 Thanassi JW, Butler AR, Bruice TC. Catalytic reactions involving azomethines. VI. The mechanism of the transamination of 3-hydroxypyridine- 4-aldehyde by glutamic acid Biochemistry. 4: 1463-1472. PMID 5863313 DOI: 10.1021/BI00884A001  1
1956 BRUICE TC, KHARASCH N, WINZLER RJ. A correlation of thyroxine-like activity and chemical structure. Archives of Biochemistry and Biophysics. 62: 305-17. PMID 13328119  1
1954 BRUICE TC, WINZLER RJ, KHARASCH N. The thyroxine-like activity of some new thyroxine analogues in amphibia. The Journal of Biological Chemistry. 210: 1-9. PMID 13201564  1
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