Search Results - "Kozack, RE"

Computer modeling of electrostatic steering and orientational effects in antibody-antigen association by Kozack, R.E., d'Mello, M.J., Subramaniam, S.

“…Brownian dynamics simulations are performed to investigate the role of long-range electrostatic forces in the association of the monoclonal antibody HyHEL-5…”
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A hypothesis for what conformation of the major adduct of (+)-anti-B[a]PDE (N2-dG) causes G→T versus G→A mutations based upon a correlation between mutagenesis and molecular modeling results by Kozack, Richard E., Shukla, Rajiv, Loechler, Edward L.

“…Molecular modeling (simulated annealing) was used to study the conformations in dsDNA of [+ta]-B[a]P–N2-dG (R.E.Kozack and E.L.Loechler, accompanying paper),…”
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Molecular modeling of the major adduct of (+)-anti-B[a]PDE (N2-dG) in the eight conformations and the five DNA sequences most relevant to base substitution mutagenesis by Kozack, Richard E., Loechler, Edward L.

“…The potent mutagen/carcinogen 7R,8S-dihydroxy-9S, 10R-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene [(+)-anti-B[a]PDE], which is the activated form of benzo[a]pyrene…”
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Treatment of electrostatic effects in proteins: multigrid-based Newton iterative method for solution of the full nonlinear Poisson-Boltzmann equation by Holst, M, Kozack, R E, Saied, F, Subramaniam, S

“…The nonlinear Poisson-Boltzmann equation (NPBE) provides a continuum description of the electrostatic field in an ionic medium around a macromolecule. Here, a…”
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Molecular modeling of the conformational complexity of (+)-anti-B[α]PDE-adducted DNA using simulated annealing by KOZACK, R. E, LOECHLER, E. L

“…Benzo[a]pyrene (B[a]P), a potent mutagen/carcinogen, reacts with DNA following metabolism to its corresponding (+)-anti-7,8-diol-9,10-epoxide…”
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Brownian dynamics simulations of molecular recognition in an antibody‐antigen system by Kozack, Richard E., Subramaniam, Shankar

“…The crystal structure for an antibody‐antigen system, that of the anti‐hen egg lysozyme monoclonal antibody HyHEL‐5 complexed to lysozyme, is used as the…”
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Protein electrostatics: rapid multigrid-based Newton algorithm for solution of the full nonlinear Poisson-Boltzmann equation by Holst, M, Kozack, R E, Saied, F, Subramaniam, S

“…A new method for solving the full nonlinear Poisson-Boltzmann equation is outlined. This method is robust and efficient, and uses a combination of the…”
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Numerical Solution of the Nonlinear Poisson-Boltzmann Equation for a Membrane-Electrolyte System by Forsten, Kimberly E, Kozack, Richard E, Lauffenburger, Douglas A, Subramaniam, Shankar

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Role of electrostatics in antibody-antigen association: anti-hen egg lysozyme/lysozyme complex (HyHEL-5/HEL) by Slagle, S P, Kozack, R E, Subramaniam, S

“…A recently developed multigrid-based Newton method for solving the nonlinear Poisson-Boltzmann equation is applied in an investigation of molecular recognition…”
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Born approximation and differential cross sections in nuclear physics by Kozack, Richard E.

“…The elastic scattering of strongly interacting particles from a heavy nucleus is considered. For a specific model potential, a closed‐form representation of…”
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Spin-one Kemmer-Duffin-Petiau equations and intermediate-energy deuteron-nucleus scattering by Kozack, RE, Clark, BC, Hama, S, Mishra, VK, Mercer, RL, Ray, L

“…We present a description of the spin-one Kemmer-Duffin-Petiau equations. An effective second-order equation is obtained for various types of interactions. An…”
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Implications of various spin-one relativistic wave equations for intermediate-energy deuteron-nucleus scattering by Mishra, VK, Hama, S, Clark, BC, Kozack, RE, Mercer, RL, Ray, L

“…Various relativistic treatments are applied to deuteron-nucleus elastic scattering at intermediate energies. There are various possibilities for spin-one wave…”
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Relativistic deuteron-nucleus scattering in the Kemmer-Duffin-Petiau formalism by Kozack, RE, Clark, BC, Hama, S, Mishra, VK, Kälbermann, G, Mercer, RL, Ray, L

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Sensitivity of ppol by Ray, L, Hoffmann, GW, Barlett, ML, Jarmer, JJ, Clark, BC, Kozack, RE, Mercer, RL, Burleson, GR, Hama, S

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Dirac optical potentials constrained by a Dirac-Hartree approach to nuclear structure by Hama, S, Clark, BC, Kozack, RE, Shim, S, Cooper, ED, Mercer, RL, Serot, BD

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