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Thomas Bruice

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TOP 3
Moti L Jain; István E Szabó; Paula Yurkanis Bruice; Thomas C Bruice
Incorporation of positively charged linkages into DNA and RNA backbones: a novel strategy for antigene and antisense agents.
Myunji Park; Thomas C Bruice
Development of potential anticancer agents that target the telomere sequence.
Jia Luo; Thomas C Bruice
Envisioning the loop movements and rotation of the two subdomains of dihydrofolate reductase by elastic normal mode analysis.

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All Publications

2012: Moti L Jain; István E Szabó; Paula Yurkanis Bruice; Thomas C Bruice
Incorporation of positively charged linkages into DNA and RNA backbones: a novel strategy for antigene and antisense agents.
Chemical reviews 2012;112(3):1284-309.
2010: Myunji Park; Thomas C Bruice
Development of potential anticancer agents that target the telomere sequence.
Bioorganic & medicinal chemistry letters 2010;20(13):3982-6.
2009: Jia Luo; Thomas C Bruice
Envisioning the loop movements and rotation of the two subdomains of dihydrofolate reductase by elastic normal mode analysis.
Journal of biomolecular structure & dynamics 2009;27(3):245-58.
2008: Xiaodong Zhang; Thomas C Bruice
Product specificity and mechanism of protein lysine methyltransferases: insights from the histone lysine methyltransferase SET8.
Biochemistry 2008;47(25):6671-7.
2008: Myunji Park; Thomas C Bruice
Binding properties of positively charged deoxynucleic guanidine (DNG), AgTgAgTgAgT and DNG/DNA chimeras to DNA.
Bioorganic & medicinal chemistry letters 2008;18(12):3488-91.
2008: Xiaodong Zhang; Thomas C Bruice
Enzymatic mechanism and product specificity of SET-domain protein lysine methyltransferases.
Proceedings of the National Academy of Sciences of the United States of America 2008;105(15):5728-32.
2008: Myunji Park; Daniele Canzio; Thomas C Bruice
Incorporation of positively charged ribonucleic guanidine linkages into oligodeoxyribonucleotides: Development of potent antisense agents.
Bioorganic & medicinal chemistry letters 2008;18(7):2377-84.
2008: Xiaodong Zhang; Thomas C Bruice
Mechanism of product specificity of AdoMet methylation catalyzed by lysine methyltransferases: transcriptional factor p53 methylation by histone lysine methyltransferase SET7/9.
Biochemistry 2008;47(9):2743-8.
2008: Xiaohua Zhang; Thomas C Bruice
Complexation of single strand telomere and telomerase RNA template polyanions by deoxyribonucleic guanidine (DNG) polycations: plausible anticancer agents.
Bioorganic & medicinal chemistry letters 2008;18(2):665-9.
2007: Xiaodong Zhang; Thomas C Bruice
Histone lysine methyltransferase SET7/9: formation of a water channel precedes each methyl transfer.
Biochemistry 2007;46(51):14838-44.
2007: Xiaodong Zhang; Thomas C Bruice
A quantum mechanics/molecular mechanics study of the catalytic mechanism and product specificity of viral histone lysine methyltransferase.
Biochemistry 2007;46(34):9743-51.
2007: Xiaodong Zhang; Thomas C Bruice
Catalytic mechanism and product specificity of rubisco large subunit methyltransferase: QM/MM and MD investigations.
Biochemistry 2007;46(18):5505-14.
2007: Jia Luo; Thomas C Bruice
Low-frequency normal modes in horse liver alcohol dehydrogenase and motions of residues involved in the enzymatic reaction.
Biophysical chemistry 2007;126(1-3):80-5.
2007: Joseph W Toporowski; Swarnalatha Y Reddy; Thomas C Bruice
An investigation of the ionic and solvation patterns of dsDNG versus dsDNA by use of molecular dynamics simulations.
Biophysical chemistry 2007;126(1-3):132-9.
2007: Xiaohua Zhang; Thomas C Bruice
Diels-Alder ribozyme catalysis: a computational approach.
Journal of the American Chemical Society 2007;129(4):1001-7.
2007: Xiaohua Zhang; Thomas C Bruice
Temperature-dependent structure of the E x S complex of Bacillus stearothermophilus alcohol dehydrogenase.
Biochemistry 2007;46(3):837-43.
2007: Xiaodong Zhang; Swarnalatha Y Reddy; Thomas C Bruice
Mechanism of methanol oxidation by quinoprotein methanol dehydrogenase.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(3):745-9.
2006: Alexandra L Kahane; Thomas C Bruice
DNA sequence recognition in the minor groove by hairpin microgonotropens.
Bioorganic & medicinal chemistry letters 2006;16(24):6255-61.
2006: Moti L Jain; Thomas C Bruice
Solid-phase synthesis of positively charged deoxynucleic guanidine (DNG) oligonucleotide incorporating 7-deazaguanine bases.
Bioorganic & medicinal chemistry 2006;14(21):7333-46.
2006: Xiaodong Zhang; Thomas C Bruice
Reaction mechanism of guanidinoacetate methyltransferase, concerted or step-wise.
Proceedings of the National Academy of Sciences of the United States of America 2006;103(44):16141-6.
2006: Thomas C Bruice
Computational approaches: reaction trajectories, structures, and atomic motions. Enzyme reactions and proficiency.
Chemical reviews 2006;106(8):3119-39.
2006: Xiaohua Zhang; Thomas C Bruice
Temperature dependence of the structure of the substrate and active site of the Thermus thermophilus chorismate mutase E x S complex.
Biochemistry 2006;45(28):8562-7.
2006: Bryan J Correa; Daniele Canzio; Alexandra L Kahane; Putta Mallikarjuna Reddy; Thomas C Bruice
DNA sequence recognition by Hoechst 33258 conjugates of hairpin pyrrole/imidazole polyamides.
Bioorganic & medicinal chemistry letters 2006;16(14):3745-50.
2006: Xiaodong Zhang; Thomas C Bruice
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 2006;103(16):6148-53.
2006: Myunji Park; Joseph W Toporowski; Thomas C Bruice
Ribonucleic guanidine demonstrates an unexpected marked preference for complementary DNA rather than RNA.
Bioorganic & medicinal chemistry 2006;14(6):1743-9.
2005: Xiaohua Zhang; Thomas C Bruice
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 2005;102(51):18356-60.
2005: Putta Mallikarjuna Reddy; Joseph W Toporowski; Alexandra L Kahane; Thomas C Bruice
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 2005;15(24):5531-6.
2005: Jia Luo; Thomas C Bruice
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 2005;102(45):16194-8.
2005: Thomas C Bruice; Paula Yurkanis Bruice
Covalent intermediates and enzyme proficiency.
Journal of the American Chemical Society 2005;127(36):12478-9.
2005: Xiaodong Zhang; Xiaohua Zhang; Thomas C Bruice
A definitive mechanism for chorismate mutase.
Biochemistry 2005;44(31):10443-8.
2005: Myunji Park; Thomas C Bruice
Binding studies of cationic uridyl ribonucleic guanidine (RNG) to DNA.
Bioorganic & medicinal chemistry letters 2005;15(13):3247-51.
2005: Joseph W Toporowski; Swarnalatha Y Reddy; Thomas C Bruice
Comparison of positively charged DNG with DNA duplexes: a computational approach.
Bioorganic & medicinal chemistry 2005;13(11):3691-8.
2005: Devleena Mazumder-Shivakumar; Thomas C Bruice
Computational study of IAG-nucleoside hydrolase: determination of the preferred ground state conformation and the role of active site residues.
Biochemistry 2005;44(21):7805-17.
2005: Kalju Kahn; Thomas C Bruice
Focal-point conformational analysis of ethanol, propanol, and isopropanol.
Chemphyschem : a European journal of chemical physics and physical chemistry 2005;6(3):487-95.
2005: R August Estabrook; Jia Luo; Matthew M Purdy; Vyas Sharma; Paul Weakliem; Thomas C Bruice; Norbert O Reich
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 2005;102(4):994-9.
2004: Anna Liza B Valiña; Devleena Mazumder-Shivakumar; Thomas C Bruice
Probing the Ser-Ser-Lys catalytic triad mechanism of peptide amidase: computational studies of the ground state, transition state, and intermediate.
Biochemistry 2004;43(50):15657-72.
2004: Swarnalatha Y Reddy; Thomas C Bruice
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 2004;101(45):15887-92.
2004: Devleena Mazumder-Shivakumar; Thomas C Bruice
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 2004;101(40):14379-84.
2004: Jia Luo; Thomas C Bruice
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 2004;101(36):13152-6.
2004: Henrik Möbitz; Thomas C Bruice
Multiple substrate binding states and chiral recognition in cofactor-independent glutamate racemase: a molecular dynamics study.
Biochemistry 2004;43(30):9685-94.
2004: Swarnalatha Y Reddy; Thomas C Bruice
Determination of enzyme mechanisms by molecular dynamics: studies on quinoproteins, methanol dehydrogenase, and soluble glucose dehydrogenase.
Protein science : a publication of the Protein Society 2004;13(8):1965-78.
2004: Istvan E Szabo; Thomas C Bruice
DNG cytidine: synthesis and binding properties of octameric guanidinium-linked deoxycytidine oligomer.
Bioorganic & medicinal chemistry 2004;12(15):4233-44.
2004: Putta Mallikarjuna Reddy; Rachel Dexter; Thomas C Bruice
DNA sequence recognition in the minor groove by hairpin pyrrole polyamide-Hoechst 33258 analogue conjugate.
Bioorganic & medicinal chemistry letters 2004;14(14):3803-7.
2004: Devleena Mazumder-Shivakumar; Kalju Kahn; Thomas C Bruice
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 2004;126(19):5936-7.
2004: Putta Mallikarjuna Reddy; Thomas C Bruice
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 2004;126(12):3736-47.
2004: Hemavathi Challa; Thomas C Bruice
Deoxynucleic guanidine; synthesis and incorporation of purine nucleosides into positively charged DNG oligonucleotides.
Bioorganic & medicinal chemistry 2004;12(6):1475-81.
2004: Swarnalatha Y Reddy; Thomas C Bruice
Mechanism of glucose oxidation by quinoprotein soluble glucose dehydrogenase: insights from molecular dynamics studies.
Journal of the American Chemical Society 2004;126(8):2431-8.
2004: Sun Hur; Zachary E R Newby; Thomas C Bruice
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 2004;101(9):2730-5.
2003: Swarnalatha Y Reddy; Satoshi Obika; Thomas C Bruice
Conformations and dynamics of Ets-1 ETS domain-DNA complexes.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(26):15475-80.
2003: Sun Hur; Thomas C Bruice
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 2003;100(21):12015-20.
2003: Sun Hur; Thomas C Bruice
Just a near attack conformer for catalysis (chorismate to prephenate rearrangements in water, antibody, enzymes, and their mutants).
Journal of the American Chemical Society 2003;125(35):10540-2.
2003: Rhonda A Torres; Fahmi Himo; Thomas C Bruice; Louis Noodleman; Timothy Lovell
Theoretical examination of Mg(2+)-mediated hydrolysis of a phosphodiester linkage as proposed for the hammerhead ribozyme.
Journal of the American Chemical Society 2003;125(32):9861-7.
2003: Satoshi Obika; Swarnalatha Y Reddy; Thomas C Bruice
Sequence specific DNA binding of Ets-1 transcription factor: molecular dynamics study on the Ets domain--DNA complexes.
Journal of molecular biology 2003;331(2):345-59.
2003: Swarnalatha Y Reddy; Thomas C Bruice
In silico studies of the mechanism of methanol oxidation by quinoprotein methanol dehydrogenase.
Journal of the American Chemical Society 2003;125(27):8141-50.
2003: Putta Mallikarjuna Reddy; Peter T Jindra; Alexander L Satz; Thomas C Bruice
Sequence selective recognition in the minor groove of dsDNA by pyrrole, imidazole-substituted bis-benzimidazole conjugates.
Journal of the American Chemical Society 2003;125(26):7843-8.
2003: Devleena Mazumder; Kalju Kahn; Thomas C Bruice
Computational study of ketosteroid isomerase: insights from molecular dynamics simulation of enzyme bound substrate and intermediate.
Journal of the American Chemical Society 2003;125(25):7553-61.
2003: Sun Hur; Thomas C Bruice
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 2003;125(19):5964-72.
2003: Putta Mallikarjuna Reddy; Thomas C Bruice
Solid-phase synthesis of positively charged deoxynucleic guanidine (DNG) oligonucleotide mixed sequences.
Bioorganic & medicinal chemistry letters 2003;13(7):1281-5.
2003: Sun Hur; Kalju Kahn; Thomas C Bruice
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 2003;100(5):2215-9.
2003: Sun Hur; Thomas C Bruice
Enzymes do what is expected (chalcone isomerase versus chorismate mutase).
Journal of the American Chemical Society 2003;125(6):1472-3.
2002: Jia Luo; Thomas C Bruice
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 2002;99(26):16597-600.
2002: Devleena Mazumder; Thomas C Bruice
Exploring nucleoside hydrolase catalysis in silico: molecular dynamics study of enzyme-bound substrate and transition state.
Journal of the American Chemical Society 2002;124(49):14591-600.
2002: Birgit Schiøtt; Thomas C Bruice
Reaction mechanism of soluble epoxide hydrolase: insights from molecular dynamics simulations.
Journal of the American Chemical Society 2002;124(49):14558-70.
2002: Swarnalatha Y Reddy; Kalju Kahn; Ya-Jun Zheng; Thomas C Bruice
Protein engineering of nitrile hydratase activity of papain: molecular dynamics study of a mutant and wild-type enzyme.
Journal of the American Chemical Society 2002;124(44):12979-90.
2002: Devleena Mazumder; Kalju Kahn; Thomas C Bruice
Computer simulations of trypanosomal nucleoside hydrolase: determination of the protonation state of the bound transition-state analogue.
Journal of the American Chemical Society 2002;124(30):8825-33.
2002: Kalju Kahn; Thomas C Bruice
Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides.
Journal of computational chemistry 2002;23(10):977-96.
2002: Sun Hur; Thomas C Bruice
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 2002;99(15):9668-73.
2002: Sun Hur; Thomas C Bruice
The mechanism of cis-trans isomerization of prolyl peptides by cyclophilin.
Journal of the American Chemical Society 2002;124(25):7303-13.
2002: Zachary E R Newby; Edmond Y Lau; Thomas C Bruice
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 2002;99(12):7922-7.
2002: Thomas C Bruice
A view at the millennium: the efficiency of enzymatic catalysis.
Accounts of chemical research 2002;35(3):139-48.
2002: Christine M White; Alexander L Satz; Loretta S Gawron; Thomas C Bruice; Terry Beerman
Inhibiting transcription factor/DNA complexes using fluorescent microgonotropens (FMGTs).
Biochimica et biophysica acta 2002;1574(1):100-8.
2002: Sun Hur; Thomas C Bruice
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 2002;99(3):1176-81.
2002: Alexander L Satz; Thomas C Bruice
Recognition in the minor groove of double-stranded DNA by microgonotropens.
Accounts of chemical research 2002;35(2):86-95.
2002: Alexander L Satz; Thomas C Bruice
Recognition of nine base pair sequences in the minor groove of DNA at subpicomolar concentrations by a novel microgonotropen.
Bioorganic & medicinal chemistry 2002;10(2):241-52.
2001: Kalju Kahn; Thomas C Bruice
Diphtheria toxin catalyzed hydrolysis of NAD(+): molecular dynamics study of enzyme-bound substrate, transition state, and inhibitor.
Journal of the American Chemical Society 2001;123(48):11960-9.
2001: Jia Luo; Thomas C Bruice
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 2001;123(48):11952-9.
2001: H Challa; Thomas C Bruice
Incorporation of positively charged deoxynucleic S-methylthiourea linkages into oligodeoxyribonucleotides.
Bioorganic & medicinal chemistry letters 2001;11(18):2423-7.
2001: Christine M White; Alexander L Satz; Thomas C Bruice; Terry Beerman
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 2001;98(19):10590-5.
2001: Edmond Y Lau; Thomas C Bruice
The active site dynamics of 4-chlorobenzoyl-CoA dehalogenase.
Proceedings of the National Academy of Sciences of the United States of America 2001;98(17):9527-32.
2001: BA Linkletter; I E Szabo; Thomas C Bruice
Solid-phase synthesis of oligopurine deoxynucleic guanidine (DNG) and analysis of binding with DNA oligomers.
Nucleic acids research 2001;29(11):2370-6.
2001: Alexander L Satz; Christine M White; Terry Beerman; Thomas C Bruice
Double-stranded DNA binding characteristics and subcellular distribution of a minor groove binding diphenyl ether bisbenzimidazole.
Biochemistry 2001;40(21):6465-74.
2001: Edmond Y Lau; Zachary E R Newby; Thomas C Bruice
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 2001;123(14):3350-7.
2001: Alexander L Satz; Thomas C Bruice
Recognition of nine base pairs in the minor groove of DNA by a tripyrrole peptide-Hoechst conjugate.
Journal of the American Chemical Society 2001;123(11):2469-77.
2000: Thomas C Bruice; Kalju Kahn
Computational enzymology.
Current opinion in chemical biology 2000;4(5):540-4.
2000: Edmond Y Lau; Kalju Kahn; P A Bash; Thomas C Bruice
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 2000;97(18):9937-42.
2000: BA Linkletter; Thomas C Bruice
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 2000;8(8):1893-901.
2000: K Kahn; Thomas C Bruice
Alpha-ketoamides and alpha-ketocarbonyls: conformational analysis and development of all-atom OPLS force field.
Bioorganic & medicinal chemistry 2000;8(8):1881-91.
2000: Alexander L Satz; Thomas C Bruice
Synthesis of fluorescent microgonotropens (FMGTs) and their interactions with dsDNA.
Bioorganic & medicinal chemistry 2000;8(8):1871-80.
2000: Thomas C Bruice; Stephen J Benkovic
Chemical basis for enzyme catalysis.
Biochemistry 2000;39(21):6267-74.
2000: Dev P Arya; Thomas C Bruice
Solid-phase synthesis of oligomeric deoxynucleic-thiourea (DNT) and deoxynucleic S-methylthiourea (DNmt): a neutral/polycationic analogue of DNA.
Bioorganic & medicinal chemistry letters 2000;10(8):691-3.
2000: H Adalsteinsson; Thomas C Bruice
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 2000;8(3):625-35.
2000: H Adalsteinsson; Thomas C Bruice
Generation and evaluation of putative neuroregenerative drugs. Part 1: virtual point mutations to the polyketide rapamycin.
Bioorganic & medicinal chemistry 2000;8(3):617-24.
2000: J Luo; Thomas C Bruice
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 2000;17(4):629-43.
2000: N Kojima; Thomas C Bruice
Replacement of the phosphorodiester linkages of RNA with guanidinium linkages: the solid-phase synthesis of ribonucleic guanidine.
Organic letters 2000;2(1):81-4.
1999: R A Torres; Thomas C Bruice
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 1999;96(26):14748-52.
1999: Alexander L Satz; Thomas C Bruice
Synthesis of a fluorescent microgonotropen (FMGT-1) and its interactions with the dodecamer d(CCGGAATTCCGG).
Bioorganic & medicinal chemistry letters 1999;9(23):3261-6.
1999: Edmond Y Lau; Thomas C Bruice
Active site dynamics of the HhaI methyltransferase: insights from computer simulation.
Journal of molecular biology 1999;293(1):9-18.
1999: Edmond Y Lau; Thomas C Bruice
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 1999;77(1):85-98.
1999: Dev P Arya; Thomas C Bruice
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 1999;96(8):4384-9.
1998: Birgit Schiøtt; Bo B Iversen; Georg K H Madsen; Finn K Larsen; Thomas C Bruice
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 1998;95(22):12799-802.
1998: R A Torres; Thomas C Bruice
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 1998;95(19):11077-82.
1998: D A Barawkar; Thomas C Bruice
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 1998;95(19):11047-52.
1998: D A Barawkar; BA Linkletter; Thomas C Bruice
Synthesis of protected guanidinium linked dinucleoside incorporable into an oligonucleotide using solid phase DNA methodology.
Bioorganic & medicinal chemistry letters 1998;8(12):1517-20.
1998: BA Linkletter; Thomas C Bruice
Solid-phase synthesis of oligomeric deoxynucleic guanidine (DNG): a polycationic analogue of DNA.
Bioorganic & medicinal chemistry letters 1998;8(11):1285-90.
1998: Ya-Jun Zheng; Thomas C Bruice
Role of a critical water in scytalone dehydratase-catalyzed reaction.
Proceedings of the National Academy of Sciences of the United States of America 1998;95(8):4158-63.
1997: Ya-Jun Zheng; Thomas C Bruice
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 1997;94(22):11881-6.
1997: Felice C Lightstone; Ya-Jun Zheng; A H Maulitz; Thomas C Bruice
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 1997;94(16):8417-20.
1997: A Blaskó; E E Minyat; R O Dempcy; Thomas C Bruice
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 1997;36(25):7821-31.
1997: A H Maulitz; Felice C Lightstone; Ya-Jun Zheng; Thomas C Bruice
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 1997;94(13):6591-5.
1997: Ya-Jun Zheng; Thomas C Bruice
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 1997;94(9):4285-8.
1997: Thomas C Bruice; D Sengupta; A Blaskó; SY Chiang; Terry Beerman
A microgonotropen branched decaaza decabutylamine and its DNA and DNA/transcription factor interactions.
Bioorganic & medicinal chemistry 1997;5(4):685-92.
1997: SY Chiang; Thomas C Bruice; JC Azizkhan; Loretta S Gawron; Terry Beerman
Targeting E2F1-DNA complexes with microgonotropen DNA binding agents.
Proceedings of the National Academy of Sciences of the United States of America 1997;94(7):2811-6.
1996: L P Olson; J Luo; O Almarsson; Thomas C Bruice
Mechanism of aldehyde oxidation catalyzed by horse liver alcohol dehydrogenase.
Biochemistry 1996;35(30):9782-91.
1996: R A Torres; O Almarsson; Thomas C Bruice
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 1996;93(14):6875-80.
1996: D Sengupta; A Blaskó; Thomas C Bruice
A microgonotropen pentaaza pentabutylamine and its interactions with DNA.
Bioorganic & medicinal chemistry 1996;4(6):803-13.
1996: R O Dempcy; J Luo; Thomas C Bruice
Design and synthesis of ribonucleic guanidine: a polycationic analog of RNA.
Proceedings of the National Academy of Sciences of the United States of America 1996;93(9):4326-30.
1995: A Blaskó; K A Browne; Thomas C Bruice
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 1995;3(11):1563.
1995: K A Browne; R O Dempcy; Thomas C Bruice
Binding studies of cationic thymidyl deoxyribonucleic guanidine to RNA homopolynucleotides.
Proceedings of the National Academy of Sciences of the United States of America 1995;92(15):7051-5.
1995: R O Dempcy; K A Browne; Thomas C Bruice
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 1995;92(13):6097-101.
1995: L P Olson; Thomas C Bruice
Electron tunneling and ab initio calculations related to the one-electron oxidation of NAD(P)H bound to catalase.
Biochemistry 1995;34(22):7335-47.
1995: A Blaskó; K A Browne; Thomas C Bruice
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 1995;3(6):631-46.
1995: T Xue; K A Browne; Thomas C Bruice
A novel minor groove binding reagent designed to serve as a "truck" to carry DNA modifying moieties into the major groove.
Bioconjugate chemistry 1995;6(1):82-7.
1994: R O Dempcy; O Almarsson; Thomas C Bruice
Design and synthesis of deoxynucleic guanidine: a polycation analogue of DNA.
Proceedings of the National Academy of Sciences of the United States of America 1994;91(17):7864-8.
1994: Helen G Hansma; K A Browne; M Bezanilla; Thomas C Bruice
Bending and straightening of DNA induced by the same ligand: characterization with the atomic force microscope.
Biochemistry 1994;33(28):8436-41.
1993: A Blaskó; Thomas C Bruice
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 1993;90(21):10018-22.
1993: O Almarsson; Thomas C Bruice
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 1993;90(20):9542-6.
1993: Helen G Hansma; Robert L Sinsheimer; J Groppe; Thomas C Bruice; V Elings; G Gurley; M Bezanilla; I A Mastrangelo; P V Hough; Paul K Hansma
Recent advances in atomic force microscopy of DNA.
Scanning 1993;15(5):296-9.
1993: O Almarsson; Thomas C Bruice; J Kerr; R N Zuckermann
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 1993;90(16):7518-22.
1992: Thomas C Bruice; H Y Mei; G X He; V Lopez
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 1992;89(5):1700-4.
1990: T W Kaaret; Thomas C Bruice
Electrochemical luminescence with N(5)-ethyl-4a-hydroxy-3-methyl-4a, 5-dihydrolumiflavin. The mechanism of bacterial luciferase.
Photochemistry and photobiology 1990;51(5):629-33.
1989: H Y Mei; T W Kaaret; Thomas C Bruice
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 1989;86(24):9727-31.
1989: E Gopinath; T W Kaaret; Thomas C Bruice
Mechanism of mercury(II) reductase and influence of ligation on the reduction of mercury(II) by a water soluble 1,5-dihydroflavin.
Proceedings of the National Academy of Sciences of the United States of America 1989;86(9):3041-4.
1988: P C Nakagaki; T S Calderwood; Thomas C Bruice
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 1988;85(15):5424-8.
1988: R W Lee; P C Nakagaki; P N Balasubramanian; Thomas C Bruice
Observations and comments on the mechanism of epoxidation of alkenes by manganese(III) porphyrins with hypochlorite.
Proceedings of the National Academy of Sciences of the United States of America 1988;85(3):641-4.
1987: P N Balasubramanian; Thomas C Bruice
Oxygen transfer involving nonheme iron: the influence of leaving group ability on the rate constant for oxygen transfer to (EDTA)Fe(III) from peroxycarboxylic acids and hydroperoxides.
Proceedings of the National Academy of Sciences of the United States of America 1987;84(7):1734-8.
1975: R C Job; Thomas C Bruice
Iron-sulfur clusters II: Kinetics of ligand exchange studied on a water-soluble Fe(4)S(4)(SR)(4) cluster.
Proceedings of the National Academy of Sciences of the United States of America 1975;72(7):2478-82.
1975: Thomas C Bruice; R Maskiewicz; R Job
The Acid-Base Properties, Hydrolytic Mechanism, and Susceptibility to O(2) Oxidation of Fe(4)S(4)(SR)(4) Clusters.
Proceedings of the National Academy of Sciences of the United States of America 1975;72(1):231-4.
1971: Thomas C Bruice; A Brown; D O Harris
On the concept of orbital steering in catalytic reactions.
Proceedings of the National Academy of Sciences of the United States of America 1971;68(3):658-61.