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51

Geometric considerations in the calculation of relative free energies of activation

Jeffry D. Madura, B.Montgomery Pettitt, J.Andrew McCammon

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 440 KB

english, 1987

52

A theoretical study of the structure of shocked water

Daniel F. Calef, B.Montgomery Pettitt

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 358 KB

english, 1987

53

The structure of water surrounding a peptide: a theoretical approach

B. Montgomery Pettitt, Martin Karplus

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 394 KB

english, 1987

54

Two-dimensional fluids in a periodic external potential: Intercalation in graphite

Omar A. Karim, B.Montgomery Pettitt

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 449 KB

english, 1987

55

A dielectrically consistent interaction site theory for solvent—electrolyte mixtures

J.S. Perkyns, B. Montgomery Pettitt

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 288 KB

english, 1992

56

Non-isotropic solution of an OZ equation: matrix methods for integral equations

Zhuo-Min Chen, B.Montgomery Pettitt

Journal:

Computer Physics Communications

Year:

1995

Language:

english

File:

PDF, 510 KB

english, 1995

57

Efficient Ewald electrostatic calculations for large systems

Paul E. Smith, B.Montgomery Pettitt

Journal:

Computer Physics Communications

Year:

1995

Language:

english

File:

PDF, 438 KB

english, 1995

58

Preface

B.Montgomery Pettitt, Jeremy C. Smith

Journal:

Computer Physics Communications

Year:

1995

Language:

english

File:

PDF, 56 KB

english, 1995

59

Methods for calculating geometries of transition states in solution

Jeffry D. Madura, B.Montgomery Pettitt, J.Andrew McCammon

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 674 KB

english, 1989

60

Integral equation approaches to structure and thermodynamics of aqueous salt solutions

John Perkyns, B. Montgomery Pettitt

Journal:

Biophysical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.55 MB

english, 1994

61

A model for structure and thermodynamics of ssDNA and dsDNA near a surface: A coarse grained approach

J. Ambia-Garrido, Arnold Vainrub, B. Montgomery Pettitt

Journal:

Computer Physics Communications

Year:

2010

Language:

english

File:

PDF, 537 KB

english, 2010

62

Combined hopping–superexchange model of a hole transfer in DNA

V.D. Lakhno, V.B. Sultanov, B. Montgomery Pettitt

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 321 KB

english, 2004

63

A fast solver for the Ornstein–Zernike equations

C.T. Kelley, B.Montgomery Pettitt

Journal:

Journal of Computational Physics

Year:

2004

Language:

english

File:

PDF, 133 KB

english, 2004

64

A new boundary condition for computer simulations of interfacial systems

Ka-Yiu Wong, B.Montgomery Pettitt

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 111 KB

english, 2000

65

Large scale distributed data repository: design of a molecular dynamics trajectory database

Michael Feig, Matin Abdullah, Lennart Johnsson, B.Montgomery Pettitt

Journal:

Future Generation Computer Systems

Year:

1999

Language:

english

File:

PDF, 200 KB

english, 1999

66

Semi-grand canonical molecular dynamics simulation of bovine pancreatic trypsin inhibitor

Gillian C. Lynch, B.Montgomery Pettitt

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 477 KB

english, 2000

67

Comparison of the potentials of mean force for alanine tetrapeptide between integral equation theory and simulation

Ninad V. Prabhu, John S. Perkyns, Herb D. Blatt, Paul E. Smith, B.Montgomery Pettitt

Journal:

Biophysical Chemistry

Year:

1999

Language:

english

File:

PDF, 314 KB

english, 1999

68

Backbone additivity in the transfer model of protein solvation

Char Y. Hu, Hironori Kokubo, Gillian C. Lynch, D. Wayne Bolen, B. Montgomery Pettitt

Journal:

Protein Science

Year:

2010

Language:

english

File:

PDF, 458 KB

english, 2010

69

Structure and dynamics of the water around myoglobin

George N. Phillips Jr., B. Montgomery Pettitt

Journal:

Protein Science

Year:

1995

Language:

english

File:

PDF, 2.93 MB

english, 1995

70

Solvent participation in Serratia marcescens endonuclease complexes

Chuanying Chen, Brian W. Beck, Kurt Krause, B. Montgomery Pettitt

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2006

Language:

english

File:

PDF, 1.68 MB

english, 2006

71

Trimethylamine N-oxide influence on the backbone of proteins: An oligoglycine model

Char Y. Hu, Gillian C. Lynch, Hironori Kokubo, B. Montgomery Pettitt

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 271 KB

english, 2010

72

A Connected-cluster of hydration around myoglobin: Correlation between molecular dynamics simulations and experiment

Valère Lounnas, Dr. B. Montgomery Pettitt

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1994

Language:

english

File:

PDF, 1.31 MB

english, 1994

73

Distribution function implied dynamics versus residence times and correlations: Solvation shells of myoglobin

Valère Lounnas, Dr. B. Montgomery Pettitt

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1994

Language:

english

File:

PDF, 1.06 MB

english, 1994

74

Theoretical compton profile anisotropics in molecules and solids. VIII. Vibrational, rotational, and temperature-dependent diatomic alkali halide anisotropics

B. Montgomery Pettitt, Shridhar R. Gadre, Robert L. Matcha

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 352 KB

english, 1980

75

A study of DNA tethered to a surface by an all-atom molecular dynamics simulation

Ka-Yiu Wong, B. Montgomery Pettitt

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2001

Language:

english

File:

PDF, 179 KB

english, 2001

76

Integral Equations in the Study of Polar and Ionic Interaction Site Fluids

Jesse J. Howard, B. Montgomery Pettitt

Journal:

Journal of Statistical Physics

Year:

2011

Language:

english

File:

PDF, 947 KB

english, 2011

77

Effects of truncating long-range interactions in aqueous ionic solution simulations

Jeffry D. Madura, B.Montgomery Pettitt

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 332 KB

english, 1988

78

Communications overlapping in fast multipole particle dynamics methods

Jakub Kurzak, B. Montgomery Pettitt

Journal:

Journal of Computational Physics

Year:

2005

Language:

english

File:

PDF, 623 KB

english, 2005

79

Thermodynamics of association to a molecule immobilized in an electric double layer

Arnold Vainrub, B.Montgomery Pettitt

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 135 KB

english, 2000

80

NMR and quenched molecular dynamics studies of superpotent linear and cyclic α-melanotropins

FAHAD AL-OBEIDI, STEVEN D. O'CONNOR, CONSTANTIN JOB, VICTOR J. HRUBY, B. MONTGOMERY PETTITT

Journal:

Chemical Biology & Drug Design

Year:

1998

Language:

english

File:

PDF, 936 KB

english, 1998

81

An analysis of the molecular origin of osmolyte-dependent protein stability

Jörg Rösgen, B. Montgomery Pettitt, David Wayne Bolen

Journal:

Protein Science

Year:

2007

Language:

english

File:

PDF, 365 KB

english, 2007

82

Fine-tuning function: Correlation of hinge domain interactions with functional distinctions between LacI and PurR

Liskin Swint-Kruse, Christopher Larson, B. Montgomery Pettitt, Kathleen Shive Matthews

Journal:

Protein Science

Year:

2002

Language:

english

File:

PDF, 9.45 MB

english, 2002

83

On the correlation between like ion pairs in water

Dang, Liem X., Pettitt, B. Montgomery, Rossky, Peter J.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 420 KB

english, 1992

84

Protein solvation from theory and simulation: Exact treatment of Coulomb interactions in three-dimensional theories

Perkyns, John S., Lynch, Gillian C., Howard, Jesse J., Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.21 MB

english, 2010

85

Water under high pressure

Madura, Jeffry D., Pettitt, B. Montgomery, Calef, Daniel F.

Journal:

Molecular Physics

Year:

1988

Language:

english

File:

PDF, 678 KB

english, 1988

86

The Behavior of Ions near a Charged Wall—Dependence on Ion Size, Concentration, and Surface Charge.

Howard, Jesse J., Perkyns, John S., Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 2.13 MB

english, 2010

87

Ion and Solvent Density Distributions around Canonical B-DNA from Integral Equations

Howard, Jesse J., Lynch, Gillian C., Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.71 MB

english, 2011

88

Crystallographic water sites from a theoretical perspective

Michael Feig, B Montgomery Pettitt

Journal:

Year:

1998

Language:

english

File:

PDF, 74 KB

english, 1998

89

Characterizing global substates of myoglobin

B Kim Andrews, Tod Romo, James B Clarage, B Montgomery Pettitt, George N Phillips Jr

Journal:

Year:

1998

Language:

english

File:

PDF, 683 KB

english, 1998

90

Reconstruction of the genetic regulatory dynamics of the rat spinal cord development: Local Invariants approach

Yuriy Fofanov, B Montgomery Pettitt

Journal:

Journal of Biomedical Informatics

Year:

2002

Language:

english

File:

PDF, 417 KB

english, 2002

91

Flexibility of tripeptides in solution: free energy molecular mechanics

GRACIELA L. RAMÉ, WAN F. LAU, B. MONTGOMERY PETTITT

Journal:

Chemical Biology & Drug Design

Year:

1990

Language:

english

File:

PDF, 1012 KB

english, 1990

92

Simulations of conformers of tuftsin and a cyclic tuftsin analog

C.V. VALDEAVELLA, H.D. BLATT, B. MONTGOMERY PETTITT

Journal:

Chemical Biology & Drug Design

Year:

1995

Language:

english

File:

PDF, 700 KB

english, 1995

93

Solvation and Hydration of Proteins and Nucleic Acids: A Theoretical View of Simulation and Experiment

Makarov, Vladimir, Pettitt, B. Montgomery, Feig, Michael

Journal:

Accounts of Chemical Research

Year:

2002

Language:

english

File:

PDF, 1.09 MB

english, 2002

94

Experiment vs Force Fields: DNA Conformation from Molecular Dynamics Simulations

Feig, Michael, Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 114 KB

english, 1997

95

Stabilities of double- and triple-strand helical nucleic acids

Yuen-Kit Cheng, B.Montgomery Pettitt

Journal:

Progress in Biophysics and Molecular Biology

Year:

1992

Language:

english

File:

PDF, 2.74 MB

english, 1992

96

The contribution of hydrogen bonding to the structure of liquid methanol

Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

1983

Language:

english

File:

PDF, 480 KB

english, 1983

97

Modeling high-resolution hydration patterns in correlation with DNA sequence and conformation

Michael Feig, B.Montgomery Pettitt

Journal:

Journal of Molecular Biology

Year:

1999

Language:

english

File:

PDF, 2.09 MB

english, 1999

98

Determination of the Transition-State Entropy for Aggregation Suggests How the Growth of Sickle Cell Hemoglobin Polymers can be Slowed

Peter G. Vekilov, Oleg Galkin, B. Montgomery Pettitt, Nihar Choudhury, Ronald L. Nagel

Journal:

Journal of Molecular Biology

Year:

2008

Language:

english

File:

PDF, 424 KB

english, 2008

99

Protein hydration density: theory, simulations and crystallography

B Montgomery Pettitt, Vladimir A Makarov, B Kim Andrews

Journal:

Current Opinion in Structural Biology

Year:

1998

Language:

english

File:

PDF, 361 KB

english, 1998

100

Sulfate Anion in Water: Model Structural, Thermodynamic, and Dynamic Properties

Cannon, William R., Pettitt, B. Montgomery, McCammon, J. Andrew

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 699 KB

english, 1994