Search Results - "Pranata, J."

Effects of micellar casein concentrate purity and milk fat on sulfur/eggy flavor in ultrapasteurized milk-based beverages by Whitt, D.M., Pranata, J., Carter, B.G., Barbano, D.M., Drake, M.A.

“…Our objectives were to determine the level of milk-derived whey protein (MDWP) removal necessary to achieve no detectable sulfur/eggy flavor in…”
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A Computational Model for the Stereoelectronic Effects of Carboxylate Lone Pairs by Kamitakahara, A., Pranata, J.

“…The effects of carboxylate syn and anti lone pairs on the basicity of a water molecule were investigated using a combination of ab initio calculations and…”
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OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform by Pranata, Julianto, Wierschke, Scott G, Jorgensen, William L

“…Potential functions in the OPLS format have been developed for the nucleotide bases and 2,6-diaminopyridine by fitting to the results of ab initio 6-31G(d)…”
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Importance of secondary interactions in triply hydrogen bonded complexes: guanine-cytosine vs uracil-2,6-diaminopyridine by Jorgensen, William L, Pranata, Julianto

“…The triply hydrogen bonded complex between guanine and cytosine is central to the structure of nucleic acids. The strength of the interaction is notable with a…”
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Sulfur–Aromatic Interactions: A Computational Study of the Dimethyl Sulfide–Benzene Complex by Pranata, Julianto

“…To investigate sulfur–aromatic interactions, intermolecular interaction energies between dimethyl sulfide and benzene were computed using ab initio molecular…”
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The ene reaction: Comparison of results of Hartree-Fock, Møller-Plesset, CASSCF, and DFT calculations by Pranata, Julianto

“…Structural and energetic aspects of the ene reaction were investigated using a variety of computational methods incorporating different ways of accounting for…”
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Empirical evaluation of the influence of side chains on the conformational entropy of the polypeptide backbone by Stites, W E, Pranata, J

“…Changes in amino acid side chains have long been recognized to alter the range and distribution of phi, psi angles found in the main chain of polypeptides…”
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Spin preferences of conjugated polyradicals: the disjoint NBMO analysis by Pranata, Julianto

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Nature of Denaturing Agents: Monte Carlo Simulations of Bimolecular Complexes Involving Urea and N-Methylacetamide in Aqueous Solution by Pranata, Julianto

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Secondary Deuterium Isotope Effects for Enolization Reactions by Alston, William C., Haley, Kari, Kanski, Ryszard, Murray, Christopher J., Pranata, Julianto

“…Secondary α- and β-deuterium isotope effects for enolization reactions and equilibria have been determined by ab initio calculations, 1H NMR spectroscopy, and…”
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Monte Carlo Simulations of Guanidinium Acetate and Methylammonium Acetate Ion Pairs in Water by Saigal, Shailesh, Pranata, Julianto

“…Free energy profiles of guanidinium acetate and methylammonium acetate ion pairs in water were calculated using Monte Carlo simulations. Both systems display a…”
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Ab Initio Study of the Base-Catalyzed Hydrolysis of Methyl Formate by Pranata, Julianto

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Computational studies on FK506: conformational search and molecular dynamics simulation in water by Pranata, Julianto, Jorgensen, William L

“…Computational investigations have been undertaken to elucidate the conformational characteristics and the hydration of the immunosuppresant FK506. The…”
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Computational Investigations of Reactive Intermediates in the Acid-Catalyzed Proton Exchange in Formamide by Pranata, Julianto, Davis, Geraldine D

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Ab Initio Study of the Base-Promoted Hydrolysis of N-Methylformamide by O'Brien, James F, Pranata, Julianto

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Catalytic Hydrogenation of [2.2]Paracyclophane. Unsaturated Intermediates by Lin, Shaw-Tao, Wharry, Donald L., Yates, Robert L., Garti, Nissim, Pranata, Julianto, Siegel, Samuel, Skrabal, Peter

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A theoretical study of bis(cyclobutadienyl) and higher homologues: polycyclobutadiene as a novel organic metal? by PRANATA, J, MARUDARAJAN, V. S, DOUGHERTY, D. A

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Non-Kekule acenes. The dimethylenepolycyclobutadienes, a new class of (4n + 2) alternant hydrocarbons by Pranata, Julianto, Dougherty, Dennis A

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Tautomeric Equilibria of 3-Hydroxypyrazole in the Gas Phase and in Solution: A Theoretical Study Combining ab Initio Quantum Mechanics and Monte Carlo Simulation Methods by Cao, Ming, Teppen, Brian J, Miller, David M, Pranata, Julianto, Schafer, Lothar

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Band structures of polyfulvene and related polymers. A model for the effects of benzannelation on the band structures of polythiophene, polypyrrole, and polyfulvene by Pranata, Julianto, Grubbs, Robert H, Dougherty, Dennis A

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