G. Pack

发表

Divalent cations and the electrostatic potential around DNA: Monte Carlo and Poisson-Boltzmann calculations.

G. Lamm, G. Pack, L. Wong, 1999, Biopolymers.

Calculation of Dielectric Constants near Polyelectrolytes in Solution

G. Lamm, G. Pack, 1997 .

Generalized Poisson‐Boltzmann calculation of the distribution of electrolyte ions around the B‐ and Z‐conformers of DNA

G. Pack, B. J. Klein, 1984, Biopolymers.

QUANTUM CHEMICAL CALCULATIONS ON THE TWO‐STEP MECHANISM OF PROFLAVIN BINDING TO DNA *

G. Loew, G. Pack, G. Hashimoto, 1981, Annals of the New York Academy of Sciences.

Water-mediated magnesium-guanine interactions

A. Petrov, G. Lamm, G. Pack, 2002 .

The effect of a variable dielectric coefficient and finite ion size on Poisson-Boltzmann calculations of DNA-electrolyte systems.

G. A. Garrett, G. Lamm, G. Pack, 1993, Biophysical journal.

Counterion condensation and shape within Poisson-Boltzmann theory.

G. Lamm, G. Pack, 2010, Biopolymers.

Award Number: W81XWH-09-1-0609 TITLE: “Acquisition of High Field Nuclear Magnetic Resonance Spectrometers for Research in Molecular structure, Function and Dynamics” PRINCIPAL INVESTIGATOR:

G. Pack, 2013 .

Comparative study of semiempirical methods for calculating interactions between large molecules with an application to the actinomycin—Guanine complex

K. Morokuma, G. Loew, S. Yamabe, 2009 .

Determination of the distribution and electric fields of monovalent and divalent ions about DNA

G. Pack, 2009 .

Theory of ion effects on DNA conformation: A high‐salt model

G. Pack, 2009 .

Poisson-Boltzmann Calculations of DNA-Electrolyte Systems

G. A. Garrett, G. Lamm, G. Pack, 2005 .

New developments in computational polyelectrolyte theory

G. Pack, C. Prasad, 1984 .

Calculation of diamagnetic susceptibilities and shielding in polyatomic molecules, with analysis of wavefunctions and the importance of multicenter integrals in the theory

R. Rein, J. Rabinowitz, G. Pack, 1972 .

The origins of sequence specificity of ethidium nucleic acid intercalation

G. Loew, G. Pack, 2009 .

Acidic domains around nucleic acids.

G. Lamm, G. Pack, 1990, Proceedings of the National Academy of Sciences of the United States of America.

Electrostatic effects on the rates of DNA-catalyzed reactions☆

G. Pack, L. Wong, 1996 .

Theoretical predictions of the functional interactions of DNA and mutagenic aziridines

G. Lamm, G. Pack, L. Wong, 1995 .

Molecular orbital studies of the hydrolysis reactions of benzo[a]pyrene diol epoxides

G. Pack, L. Wong, 1992 .

PKa of cytosine on the third strand of triplex DNA: Preliminary Poisson–Boltzmann calculations

G. Lamm, G. Pack, L. Wong, 1998 .

LOCAL DIELECTRIC CONSTANTS AND POISSON-BOLTZMANN CALCULATIONS OF DNA COUNTERION DISTRIBUTIONS

G. Lamm, Gene Lamm, George R. Pack, 1997 .

Proton equilibria in the minor groove of DNA.

S. Hanlon, G. Pack, L. Wong, 1997, Biophysical journal.

Monte Carlo and Poisson–Boltzmann calculations of the fraction of counterions bound to DNA

G. Lamm, G R Pack, G Lamm, 1994, Biopolymers.

Counterion condensation theory revisited: Limits on its applicability

G. Lamm, G. Pack, 1993 .

Calculations on the effect of methylation on the electrostatic stability of the B‐ and Z‐conformers of DNA

J. Salafsky, G. Pack, L. Wong, 1986, Biopolymers.

Necessity of aromatic carboxylate anions to be planar to induce growth of cationic micelles.

G. Pack, A. Rakitin, 2005, Langmuir : the ACS journal of surfaces and colloids.

Theoretical studies of the electrostatic stability of A, B, C, and Z-DNA conformers as a function of monovalent ion concentration and ion type

G. Pack, B. J. Klein, 1983 .

The triplex-hairpin transition in cytosine-rich DNA.

A. Petrov, G. Lamm, G. Pack, 2004, Biophysical journal.

Aromatic amine carcinogenesis: Activation and interaction with nucleic acid bases

R. MacElroy, G. Loew, S. Burt, 2009 .

Molecular mechanics calculations of the noncovalent interaction of aflatoxin B1 and its ultimate carcinogen with various dna sequences

G. Pack, T. White, 1990 .

Molecular orbital studies of electron donor-acceptor complexes. II. Carbonyl cyanide-benzene complex and dispersion energy contribution

K. Morokuma, W. A. Lathan, G. Pack, 1975 .

Semiempirical studies of the mechanism of models for the N‐hydroxylation of amines by cytochrome P450

G. Loew, G. Pack, 2009 .

Origins of the specificity in the intercalation of ethidium into nucleic acids. A theoretical analysis.

G. Loew, G. Pack, 1978, Biochimica et biophysica acta.

A quntitative demonstration of the domain of convergence of multipole representations of molecular potentials

R. Rein, G. Pack, Hsin-yu Wang, 1972 .

Monte Carlo calculations of ion distributions around micelles

G. Pack, A. Rakitin, 2003 .

Computational study of dimethyl phosphate anion and its complexes with water, magnesium, and calcium

Anton S. Petrov, A. Petrov, Joni Funseth-Smotzer, 2005 .

Electrostatic Forces in Some Hapten-Antibody Reactions

R. Rein, G. Pack, 1973, Nature.

Theoretical study of phosphate interaction with ammonium(1+) ion, with sodium(1+) ion, and with magnesium(2+) ion in the presence of water

G. Pack, C. Prasad, 1984 .

Ab initio SCF studies of interactions of lithium(+), sodium(+), beryllium(2+), and magnesium(2+) ions with dihydrogen phosphate(-) ion: model for cation binding to nucleic acids

A. D. McLean, P. Liebmann, G. Loew, 1982 .

Mg(H2O)62+–π(cytosine) interactions in a DNA dodecamer*

G. Lamm, J. Koehler, G. Pack, 2002 .

Calculations of the spatial distribution of charge density in the environment of DNA

B J Klein, G R Pack, G. Pack, 1983, Biopolymers.

Molecular geometry optimization by semiempirical methods using an optimized minimization of electronic and nuclear energies

G. Pack, D. Goetschel, 2009 .

Model systems for DNA and its environment: Suitability and accuracy in theoretical calculations

G. Lamm, G. Pack, L. Wong, 2009 .

Kinked DNA. Energetics and conditions favoring its formation.

G. Loew, M. Muskavitch, G. Pack, 1977, Biochimica et biophysica acta.

Calculation of the binding free energy for magnesium–RNA interactions

A. Petrov, G. Lamm, G. Pack, 2005, Biopolymers.

Induced coalescence of cations through low-temperature Poisson-Boltzmann calculations.

G. Lamm, G. Pack, 2004, Biophysical journal.

Molecular Dynamics Simulations of Ionic Interactions with Dodecyl Sulfate Micelles

George R. Pack, Anton R. Rakitin and, G. Pack, 2004 .

Acquisition of High Field Nuclear Magnetic Resonance Spectrometers for Research in Molecular Structure, Function and Dynamics

G. Pack, 2011 .

Calculations of Magnesium−Nucleic Acid Site Binding in Solution

A. Petrov, G. Lamm, G. Pack, 2004 .