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Masayuki Shibata

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Michael P A Williams; Paula Pera; Masayuki Shibata; William H White; Ping Chen; Manivannan Ethirajan; Shunichi Fukuzumi; Karl M Kadish; Janet Morgan; Kei Ohkubo; Ravindra K Pandey
Synthesis, photophysical, electrochemical, tumor-imaging, and phototherapeutic properties of purpurinimide-N-substituted cyanine dyes joined with variable lengths of linkers.
Lalit N Goswami; Manivannan Ethirajan; Mahabeer P Dobhal; Min Zhang; Joseph R Missert; Masayuki Shibata; Karl M Kadish; Ravindra K Pandey
Remarkable features of the McMurry reaction conditions in dimerization of formyl- and 2-formylvinylpurpurinimides. Electrochemistry of monomeric Ni(II) purpurinimide and the corresponding dyads.
Suresh K Pandey; Xiang Zheng; Janet Morgan; Joseph R Missert; Ting-Hsiu Liu; Masayuki Shibata; David A Bellnier; Allan R Oseroff; Barbara W Henderson; Thomas J Dougherty; Ravindra K Pandey
Purpurinimide carbohydrate conjugates: effect of the position of the carbohydrate moiety in photosensitizing efficacy.

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All Publications

2011: Michael P A Williams; Paula Pera; Masayuki Shibata; William H White; Ping Chen; Manivannan Ethirajan; Shunichi Fukuzumi; Karl M Kadish; Janet Morgan; Kei Ohkubo; Ravindra K Pandey
Synthesis, photophysical, electrochemical, tumor-imaging, and phototherapeutic properties of purpurinimide-N-substituted cyanine dyes joined with variable lengths of linkers.
Bioconjugate chemistry 2011;22(11):2283-95.
2009: Lalit N Goswami; Manivannan Ethirajan; Mahabeer P Dobhal; Min Zhang; Joseph R Missert; Masayuki Shibata; Karl M Kadish; Ravindra K Pandey
Remarkable features of the McMurry reaction conditions in dimerization of formyl- and 2-formylvinylpurpurinimides. Electrochemistry of monomeric Ni(II) purpurinimide and the corresponding dyads.
The Journal of organic chemistry 2009;74(2):568-79.
2007: Suresh K Pandey; Xiang Zheng; Janet Morgan; Joseph R Missert; Ting-Hsiu Liu; Masayuki Shibata; David A Bellnier; Allan R Oseroff; Barbara W Henderson; Thomas J Dougherty; Ravindra K Pandey
Purpurinimide carbohydrate conjugates: effect of the position of the carbohydrate moiety in photosensitizing efficacy.
Molecular pharmaceutics 2007;4(3):448-64.
2004: Guolin Li; Mahabeer P Dobhal; Masayuki Shibata; Ravindra K Pandey
Purpurinimide-fullerene dyads: introduction of fullerene moiety at various peripheral positions of the purpurinimide system.
Organic letters 2004;6(14):2393-6.
2003: Guolin Li; Mahabeer P Dobhal; Andrew Graham; Masayuki Shibata; Gang Zheng; Andrei Kozyrev; Ravindra K Pandey
Thermolysis of vic-dihydroxybacteriochlorins: effect of the nature of substrates in directing the formation of chlorin-chlorin dimers with fixed and flexible orientations and their preliminary in vitro photosensitizing efficacy.
The Journal of organic chemistry 2003;68(10):3762-72.
2001: Gang Zheng; Andrew Graham; Masayuki Shibata; Joseph R Missert; Allan R Oseroff; Thomas J Dougherty; Ravindra K Pandey
Synthesis of beta-galactose-conjugated chlorins derived by enyne metathesis as galectin-specific photosensitizers for photodynamic therapy.
The Journal of organic chemistry 2001;66(26):8709-16.
2000: Gang Zheng; Masayuki Shibata; Thomas J Dougherty; Ravindra K Pandey
Wittig reactions on photoprotoporphyrin IX: new synthetic models for the special pair of the photosynthetic reaction center.
The Journal of organic chemistry 2000;65(2):543-57.
1999: Andrei Kozyrev; G Zheng; Masayuki Shibata; James L Alderfer; Thomas J Dougherty; Ravindra K Pandey
Thermolysis of vic-dihydroxybacteriochlorins: a new approach for the synthesis of chlorin-chlorin and chlorin-porphyrin dimers.
Organic letters 1999;1(8):1193-6.
1999: R P Ojha; M M Dhingra; MH Sarma; Masayuki Shibata; M Farrar; C J Turner; RH Sarma
DNA bending and sequence-dependent backbone conformation NMR and computer experiments.
European journal of biochemistry / FEBS 1999;265(1):35-53.
1997: R P Ojha; M M Dhingra; MH Sarma; Y P Myer; R F Setlik; Masayuki Shibata; A L Kazim; R L Ornstein; R Rein; C J Turner; RH Sarma
Structure of an anti-HIV-1 hammerhead ribozyme complex with a 17-mer DNA substrate analog of HIV-1 gag RNA and a mechanism for the cleavage reaction: 750 MHz NMR and computer experiments.
Journal of biomolecular structure & dynamics 1997;15(2):185-215.
1996: VI Poltev; G G Malenkov; E J Gonzalez; A V Teplukhin; R Rein; Masayuki Shibata; J H Miller
Modeling DNA hydration: comparison of calculated and experimental hydration properties of nuclic acid bases.
Journal of biomolecular structure & dynamics 1996;13(4):717-26.
1995: R F Setlik; Masayuki Shibata; RH Sarma; MH Sarma; A L Kazim; RL Ornstein; T B Tomasi; R Rein
Modeling of a possible conformational change associated with the catalytic mechanism in the hammerhead ribozyme.
Journal of biomolecular structure & dynamics 1995;13(3):515-22.
1995: D A Keller; Masayuki Shibata; E Marcus; RL Ornstein; R Rein
Finding the global minimum: a fuzzy end elimination implementation.
Protein engineering 1995;8(9):893-904.
1995: RH Sarma; MH Sarma; R Rein; Masayuki Shibata; R S Setlik; RL Ornstein; A L Kazim; A Cairo; T B Tomasi
Secondary structure in solution of two anti-HIV-1 hammerhead ribozymes as investigated by two-dimensional 1H 500 MHz NMR spectroscopy in water.
FEBS letters 1995;357(3):317-23.
1994: R F Setlik; D J Meyer; Masayuki Shibata; R Roskwitalski; RL Ornstein; R Rein
A full-coordinate model of the polymerase domain of HIV-1 reverse transcriptase and its interaction with a nucleic acid substrate.
Journal of biomolecular structure & dynamics 1994;12(1):037-60.
1993: J I Manchester; Masayuki Shibata; R F Setlik; RL Ornstein; R Rein
Applicability of PM3 to transphosphorylation reaction path: toward designing a minimal ribozyme.
Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 1993;23(5-6):419-27.
1993: VI Poltev; V I Bruskov; N V Shuliupina; R Rein; Masayuki Shibata; RL Ornstein; J Miller
[Genotoxic modification of nucleic acid bases and biological consequences of it. Review and prospects of experimental and computational investigations].
Molekuliarnaia biologiia 1993;27(4):734-57.
1993: R F Setlik; R Garduno-Juarez; J I Manchester; Masayuki Shibata; RL Ornstein; R Rein
Modeling study on the cleavage step of the self-splicing reaction in group I introns.
Journal of biomolecular structure & dynamics 1993;10(6):945-72.
1993: W A Sokalski; Masayuki Shibata; RL Ornstein; R Rein
Point charge representation of multicenter multipole moments in calculation of electrostatic properties.
Theoretica chimica acta 1993;85():209-16.
1992: W A Sokalski; Masayuki Shibata; RL Ornstein; R Rein
Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties.
Journal of computational chemistry 1992;13(7):883-7.
1992: Masayuki Shibata; T J Zielinski
Computer graphics presentations and analysis of hydrogen bonds from molecular dynamics simulation.
Journal of molecular graphics 1992;10(2):88-95, 107-9.
1991: W A Sokalski; Masayuki Shibata; D Barak; R Rein
Catalytic activity of aminoacyl tRNA synthetases and its implications for the origin of life. I. Aminoacyl adenylate formation in tyrosyl tRNA synthetase.
Journal of molecular evolution 1991;33(5):405-11.
1991: Masayuki Shibata; T J Zielinski; R Rein
A molecular dynamics study of the effect of G.T mispairs on the conformation of DNA in solution.
Biopolymers 1991;31(2):211-32.
1991: D Barak; Masayuki Shibata; R Rein
Structural investigation of protein kinase C inhibitors.
Journal of molecular structure 1991;230():419-29.
1991: N Luo; Masayuki Shibata; R Rein
An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chain.
Journal of mathematical chemistry 1991;8():217-27.
1991: W A Sokalski; J Lai; N Luo; S Sun; Masayuki Shibata; RL Ornstein; R Rein
Ab initio study of the electrostatic multipole nature of torsional potentials in CH3SSCH3, CH3SSH, and HOOH.
International journal of quantum chemistry. Quantum biology symposium : proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology. International Symposium on Quantum Biology and Quantum Pharmacology 1991;18():61-71.
1990: T J Zielinski; Masayuki Shibata
A molecular dynamics simulation of the (dG)6 . (dC)6 minihelix including counterions and water.
Biopolymers 1990;29(6-7):1027-44.
1989: Masayuki Shibata; R Rein
A computer modeling study of acetylcholine receptor-ligand interactions.
Progress in clinical and biological research 1989;289():39-54.
1988: T J Zielinski; Masayuki Shibata; R Rein
High propeller twist and unusual hydrogen bonding patterns from the MD simulation of (dG)6.(dC)6.
FEBS letters 1988;236(2):450-4.
1988: M McCourt; Masayuki Shibata; J W McIver; R Rein
A molecular orbital study of a model of the Mg2+ coordination complex of the self splicing reaction of ribosomal RNA.
Journal of molecular structure 1988;179():145-52.
1987: S Srinivasan; Masayuki Shibata; M Roychoudhury; R Rein
Multistep modeling of protein structure: application towards refinement of tyr-tRNA synthetase.
International journal of quantum chemistry. Quantum biology symposium : proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology. International Symposium on Quantum Biology and Quantum Pharmacology 1987;14():281-8.
1987: R Rein; S Srinivasan; J McDonald; G Raghunathan; Masayuki Shibata
Structural elements and organization of the ancestral translational machinery.
Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life 1987;17(3-4):431-8.
1987: S Srinivasan; Masayuki Shibata; R Rein
Interaction scheme of the binding of acetylcholine receptor with cobratoxin and erabutoxin.
Progress in clinical and biological research 1987;253():171-80.
1987: R Garduno-Juarez; Masayuki Shibata; T J Zielinski; R Rein
Computer modeling of the neurotoxin binding site of acetylcholine receptor spanning residues 185 through 196.
Acta biochimica et biophysica Hungarica 1987;22(4):391-402.
1986: S Srinivasan; G Raghunathan; Masayuki Shibata; R Rein
Multistep modeling (MSM) of biomolecular structure application to the A-G mispair in the B-DNA environment.
International journal of quantum chemistry. Quantum biology symposium : proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology. International Symposium on Quantum Biology and Quantum Pharmacology 1986;12():217-27.
1986: S Srinivasan; Masayuki Shibata; R Rein
Multistep modeling of protein structure: application to bungarotoxin.
International journal of quantum chemistry. Quantum biology symposium : proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology. International Symposium on Quantum Biology and Quantum Pharmacology 1986;13():167-74.
1985: N K Ray; Masayuki Shibata; G Bolis; R Rein
Potential-derived point-charge model study of electrostatic interaction energies in some hydrogen-bonded systems.
International journal of quantum chemistry 1985;27():427-37.
1985: R Rein; Masayuki Shibata; T Kieber-Emmons; T J Zielinski
Mutational activation of proto-oncogenes.
Progress in clinical and biological research 1985;172A():357-68.
1984: N K Ray; Masayuki Shibata; G Bolis; R Rein
Potential-derived point-charge model study of electrostatic interactions in DNA base components.
Chemical physics letters 1984;109(4):352-8.
1984: N K Ray; G Bolis; Masayuki Shibata; R Rein
Potential derived point charge model study of electrostatic interaction energies in some complexes of water with uracil, thymine, and cytosine.
International journal of quantum chemistry. Quantum biology symposium : proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology. International Symposium on Quantum Biology and Quantum Pharmacology 1984;11():257-66.
1983: R Rein; T Kieber-Emmons; K Haydock; R Garduno-Juarez; Masayuki Shibata
Molecular modelling of protein-nucleic acid interactions.
Journal of biomolecular structure & dynamics 1983;1(4):1051-79.