B. Pettitt

发表

Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics

M. Karplus, C. Brooks, R. Austin, 1988 .

Advances in chemical physics, volume 71: Proteins: A theoretical perspective of dynamics, structure, and thermodynamics

M. Karplus, C. Brooks, B. Pettitt, 2006 .

The binding process of a nonspecific enzyme with DNA.

B Montgomery Pettitt, B. Pettitt, Chuanyin Chen, 2011, Biophysical journal.

Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids

B. Montgomery Pettitt, Charles L. Brooks, Martin Karplus, 1985 .

Peptides in ionic solutions: A comparison of the Ewald and switching function techniques

Bernard Pettitt, B. Pettitt, Paul E. Smith, 1991 .

Efficient Ewald electrostatic calculations for large systems

B. Montgomery Pettitt, B. Pettitt, Paul E. Smith, 1995 .

Nanosecond Dynamics and Structure of a Model DNA Triple Helix in Saltwater Solution

B. Montgomery Pettitt, Samantha Weerasinghe, B. Pettitt, 1995 .

B to A Transition of DNA on the Nanosecond Time Scale

B. Montgomery Pettitt, Liqiu Yang, B. Pettitt, 1996 .

Ewald artifacts in liquid state molecular dynamics simulations

B. Montgomery Pettitt, B. Pettitt, Paul E. Smith, 1996 .

Structural equilibrium of DNA represented with different force fields.

M Feig, B M Pettitt, B. Pettitt, 1998, Biophysical journal.

Accelerating the weighted histogram analysis method by direct inversion in the iterative subspace

B. Pettitt, C. Zhang, Chun-Liang Lai, 2016, Molecular simulation.

Surface electrostatic effects in oligonucleotide microarrays: control and optimization of binding thermodynamics.

B. Pettitt, A. Vainrub, 2003, Biopolymers.

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

J. Mccammon, B. Pettitt, W. R. Cannon, 1994 .

A global model of the protein-solvent interface.

G. Phillips, V. Lounnas, B. Pettitt, 1994, Biophysical journal.

Solvation and hydration of proteins and nucleic acids: a theoretical view of simulation and experiment.

B. Pettitt, M. Feig, V. Makarov, 2002, Accounts of chemical research.

Backbone additivity in the transfer model of protein solvation

Gillian C. Lynch, H. Kokubo, B. Pettitt, 2010, Protein science : a publication of the Protein Society.

Peptide conformational preferences in osmolyte solutions: transfer free energies of decaalanine.

H. Kokubo, B. Pettitt, Char Y Hu, 2011, Journal of the American Chemical Society.

Allosteric discrimination at the NADH/ADP regulatory site of glutamate dehydrogenase

Gillian C. Lynch, B. Pettitt, T. Smith, 2019, Protein science : a publication of the Protein Society.

Simple intramolecular model potentials for water

B. Montgomery Pettitt, B. Pettitt, L. Dang, 1987 .

Integral equation model for aqueous solvatlon of polyatomic solutes: Application to the determination of the free energy surface for the internal motion of biomolecules

M. Karplus, P. Rossky, B. Pettitt, 1986 .

Systematic Identification of Single Amino Acid Variants in Glioma Stem-Cell-Derived Chromosome 19 Proteins

Cheryl F. Lichti, Gillian C. Lynch, Qianghu Wang, 2014, Journal of proteome research.

Dielectric response of triplex DNA in ionic solution from simulations.

B M Pettitt, B. Pettitt, S. Weerasinghe, 1995, Biophysical journal.

Design of a new class of superpotent cyclic α-melanotropins based on quenched dynamic simulations

V. Hruby, B. Pettitt, M. Hadley, 1989 .

Conformations of an adenine bulge in a DNA octamer and its influence on DNA structure from molecular dynamics simulations.

M Feig, B M Pettitt, M. Zacharias, 2001, Biophysical journal.

The dewetting transition and the hydrophobic effect.

B Montgomery Pettitt, B. Pettitt, N. Choudhury, 2007, Journal of the American Chemical Society.

Molecular basis of the apparent near ideality of urea solutions.

B Montgomery Pettitt, Hironori Kokubo, H. Kokubo, 2007, Biophysical journal.

Phase transitions of water at constant excess chemical potential : an application of grand molecular dynamics

B. Pettitt, Jie Ji, 1994 .

A fast solver for the Ornstein-Zernike equations

C. Kelley, B. Pettitt, 2004 .

Dependence of hydration free energy on solute size

B. Pettitt, J. Perkyns, 1996 .

Conformational effects of substituting methionine with (2S,3S)-2,3-methanomethionine in Phe-Met-Arg-Phe-NH2

B. Pettitt, K. Burgess, K. Ho, 1995 .

A Norovirus Uses Bile Salts To Escape Antibody Recognition While Enhancing Receptor Binding

B. Pettitt, T. Smith, M. Sherman, 2021, Journal of virology.

Norovirus Escape from Broadly Neutralizing Antibodies Is Limited to Allostery-Like Mechanisms

Gillian C. Lynch, B. Pettitt, T. Smith, 2017, mSphere.

Amino acid side‐chain populations in aqueous and saline solution: Bis‐penicillamine enkephalin

B M Pettitt, B. Pettitt, P. E. Smith, 1992, Biopolymers.

Theoretical aspects of genomic variation screening using DNA microarrays.

B. Pettitt, A. Vainrub, 2004, Biopolymers.

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

B. Pettitt, J. J. Howard, 2011, Journal of statistical physics.

Visualizing Individual RuBisCO and Its Assembly into Carboxysomes in Marine Cyanobacteria by Cryo-Electron Tomography.

Christopher G. Myers, J. King, W. Chiu, 2018, Journal of molecular biology.

Peptides in ionic solutions : a simulation study of a bis(penicillamine) enkephalin in sodium acetate solution

B. Pettitt, Paul E. Smith, G. E. Marlow, 1993 .

Physico-chemical foundations underpinning microarray and next-generation sequencing experiments

David P. Kreil, C. J. Burden, D. Tautz, 2013, Nucleic acids research.

Salt effects on peptide conformers: a dielectric study of tuftsin.

B. Pettitt, L. Yang, C. V. Valdeavella, 1996, Biophysical journal.

Investigations into the Common Ion Effect

B. Pettitt, J. Perkyns, C. V. Valdeavella, 1994 .

Structure and stability of a model pyrimidine-purine-purine DNA triple helix with a GC.T mismatch by simulation.

B. Pettitt, S. Weerasinghe, P. E. Smith, 1995, Biochemistry.

Systematic investigation of theories of transport in the Lennard-Jones fluid.

B. Pettitt, G. Stell, K. Dyer, 2007, The Journal of chemical physics.

Solvent participation in Serratia marcescens endonuclease complexes

B. Pettitt, Chuanyin Chen, B. Beck, 2005, Proteins.

Conformational states governing the rates of spontaneous transition mutations

B. Pettitt, R. Blake, R. Mitra, 1995, Biopolymers.

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

V. Hruby, B. Pettitt, F. Al-Obeidi, 1998, The journal of peptide research : official journal of the American Peptide Society.

Design of a New Class of Superpotent Cyclic α-Melanotropins Based on Quenched Dynamic Simulations.

V. Hruby, B. Pettitt, M. Hadley, 1989 .

Potential energy surface for the collinear reaction of Ne and HeH

B. Pettitt, P. Meier, R. Matcha, 1978 .

Triple helix formation at distant sites: hybrid oligonucleotides containing a polymeric linker.

B. Pettitt, K. Jayaraman, M. Hogan, 1993, Nucleic acids research.

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

B. Pettitt, J. J. Howard, B. Pettitt, 2011, Journal of statistical physics.

Computationally useful bridge diagram series for the structure and thermodynamics of Lennard-Jones fluids

B. Pettitt, J. Perkyns, 1997 .

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

B. Pettitt, A. Vainrub, 2000 .

Uncovering the basis for nonideal behavior of biological molecules.

B. Pettitt, D. W. Bolen, J. Rösgen, 2004, Biochemistry.

Theoretical Compton profile anisotropies in molecules and solids. IX. Chemical bonding and 0–90 anisotropies in the first‐row diatomic hydrides AH

B. Pettitt, R. Matcha, B. I. Ramirez, 1983 .

Peptide Solubility Limits: Backbone and Side-Chain Interactions.

Gillian C. Lynch, B. Pettitt, Ka-Yiu Wong, 2018, The journal of physical chemistry. B.

Modeling the DNA-solvent interface.

B. Pettitt, W. Rudnicki, 1997, Biopolymers.

DISTRIBUTIONS OF ATOMS IN FLUIDS USING LOCA

C. Kelley, B. Pettitt, A. Salinger, 2006 .

A theory of the interionic structure of graphite intercalation synthetic metals: Variations with respect to interactions and state

B. Pettitt, O. Karim, Zhuo-Min Chen, 1988 .

MODELING SOLVENT IN BIOMOLECULAR SYSTEMS

B. Montgomery Pettitt, B. Pettitt, Paul E. Smith, 1994 .

CONTINUATION FOR ATOMIC AND MOLECULAR FLUIDS USING LOCA

C. Kelley, K. Dickson, B. Pettitt, 2007 .

A theoretical study of the structure of shocked water

B. Pettitt, D. Calef, 1987 .

Solutions of the Optimized Closure Integral Equation Theory: Heteronuclear Polyatomic Fluids.

C. Kelley, B. Pettitt, M. Marucho, 2008, Journal of chemical theory and computation.

Domain organization of membrane-bound factor VIII.

Gillian C. Lynch, S. Ludtke, B. Pettitt, 2013, Biopolymers.

Aqueous solvation of N-methylacetamide conformers: comparison of simulations and integral equation theories

M. Karplus, B. Pettitt, Hsiang‐Ai Yu, 1991 .

Molecular dynamics simulations of Trichomonas vaginalis ferredoxin show a loop-cap transition.

Gillian C. Lynch, B. Pettitt, K. Krause, 2007, Biophysical journal.

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

Gillian C. Lynch, B. Pettitt, 2000 .

A theoretical study of like ion pairs in solution

B. Pettitt, L. Dang, 1990 .

Chloride ion pairs in water

Bernard Pettitt, B. Pettitt, L. Dang, 1987 .

The potential of mean force surface for the alanine dipeptide in aqueous solution: a theoretical approach

Bernard Pettitt, Martin Karplus, M. Karplus, 1985 .

Residence times of water molecules in the hydration sites of myoglobin.

B M Pettitt, B. Pettitt, V. Makarov, 2000, Biophysical journal.

Simulation of the bis‐(penicillamine) enkephalin in ammonium chloride solution: A comparison with sodium chloride

B. Pettitt, G. E. Marlow, 2003, Biopolymers.

Simulations of the bis-penicillamine enkephalin in sodium chloride solution: a parameter study.

B. Pettitt, G. E. Marlow, 2001, Biopolymers.

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

B Montgomery Pettitt, Hironori Kokubo, Gillian C. Lynch, 2009, Proteins.

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

B. Pettitt, D. W. Bolen, J. Rösgen, 2007, Protein science : a publication of the Protein Society.

Protein folding, stability, and solvation structure in osmolyte solutions.

B. Pettitt, D. W. Bolen, J. Rösgen, 2005, Biophysical journal.

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

V. Hruby, B. Pettitt, F. Al-Obeidi, 2009 .

Structure and dynamics of α-MSH using DRISM integral equation theory and stochastic dynamics

V. Hruby, B. Pettitt, N. Prabhu, 1999 .

Conformational Constraints in the Design of Receptor Selective Peptides: Conformational Analysis and Molecular Dynamics

V. Hruby, B. Pettitt, W. Kazmierski, 1988 .

Modeling of alpha-MSH conformations with implicit solvent.

B. Pettitt, N. Prabhu, J. Perkyns, 1999, The journal of peptide research : official journal of the American Peptide Society.

NMR Methods for Characterizing the Basic Side Chains of Proteins: Electrostatic Interactions, Hydrogen Bonds, and Conformational Dynamics.

B. Pettitt, Chuanyin Chen, J. Iwahara, 2019, Methods in enzymology.

Combined hopping–superexchange model of a hole transfer in DNA

V. B. Sultanov, B. Pettitt, V. Lakhno, 2004 .

SALT EFFECTS IN PEPTIDE SOLUTIONS : THEORY AND SIMULATION

B. Pettitt, J. Perkyns, G. E. Marlow, 1993 .

A site-site theory for finite concentration saline solutions

B. Montgomery Pettitt, B. Pettitt, John S. Perkyns, 1992 .

A dielectrically consistent interaction site theory for solvent—electrolyte mixtures

B. Montgomery Pettitt, B. Pettitt, John S. Perkyns, 1992 .

Conformational Properties of the Delta Opioid Peptide Cyclic(D-Pen2,D-Pen5)enkephalin in Aqueous Solution Determined by NMR and Energy Minimization Calculations.

M. Karplus, V. Hruby, B. Pettitt, 1988 .

The conformational properties of the delta opioid peptide [D-Pen2,D-Pen5]enkephalin in aqueous solution determined by NMR and energy minimization calculations

B. Montgomery Pettitt, Victor J. Hruby, Martin Karplus, 1988 .

Binding of triple helix forming oligonucleotides to sites in gene promoters.

B. Pettitt, M. Hogan, M. Duvic, 1991, Biochemistry.

Numerical Considerations in the Computation of the Electrostatic Free Energy of Interaction within the Poisson-Boltzmann Theory

B. Montgomery Pettitt, Babak Bagheri, Ridgway Scott, 1997 .

Stabilities of double- and triple-strand helical nucleic acids.

B. Pettitt, Yuen-Kit Cheng, Y. K. Cheng, 1992, Progress in biophysics and molecular biology.

Continuum model calculations of solvation free energies: accurate evaluation of electrostatic contributions

J. Mccammon, B. Pettitt, V. Mohan, 1992 .

A study of model energetics and conformational properties of polynucleotide triplexes

H. V. van Vlijmen, B. Pettitt, Graciela L. Rameé, 1990, Biopolymers.

Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence.

B. Pettitt, Y. Yin, L. Sowers, 2013, Biochemistry.

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

B. Montgomery Pettitt, Arnold Vainrub, J. Ambia-Garrido, 2010, Comput. Phys. Commun..

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

B. Montgomery Pettitt, Yuriy Fofanov, B. Pettitt, 2002, J. Biomed. Informatics.

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

B. Pettitt, R. Matcha, S. Gadre, 2009 .

Theoretical Compton profile anisotropies in molecules and solids. V. Lithium and sodium bromide diatomics

B. Pettitt, W. McIntire, R. Matcha, 1979 .

Theoretical Compton profile anisotropies in molecules and solids. III. Relationship of parallel–perpendicular anisotropies to charge distributions in alkali chloride molecules

B. Pettitt, W. McIntire, R. Matcha, 1978 .

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

B. Pettitt, Zhuo-Min Chen, 1995 .

Integral equation predictions of liquid state structure for waterlike intermolecular potentials

B. Montgomery Pettitt, Peter J. Rossky, P. Rossky, 1982 .

Solubility Limits in Lennard-Jones Mixtures: Effects of Disparate Molecule Geometries.

B. Pettitt, J. Perkyns, K. Dyer, 2015, The journal of physical chemistry. B.

Computation of virial coefficients from integral equations.

B. Pettitt, Chun-Liang Lai, Cheng Zhang, 2015, The Journal of chemical physics.

Collinear reaction surface for He and ArH

B. Pettitt, R. Matcha, Kent Jacobson, 1980 .

Water under high pressure

J. Madura, B. Pettitt, D. Calef, 1988 .

The contribution of hydrogen bonding to the structure of liquid methanol

P. Rossky, B. Pettitt, 1983 .

Protein hydration density: theory, simulations and crystallography.

B M Pettitt, B. Pettitt, V. Makarov, 1998, Current opinion in structural biology.

Fast multipole methods for particle dynamics

B M Pettitt, J. Kurzak, B. Pettitt, 2006, Molecular simulation.

A molecular simulation picture of DNA hydration around A- and B-DNA.

B. Pettitt, M. Feig, 1998, Biopolymers.

Solubility and Aggregation of Gly5 in Water

B. Pettitt, D. Karandur, Ka-Yiu Wong, 2014, The journal of physical chemistry. B.

Microscopic DNA fluctuations are in accord with macroscopic DNA stretching elasticity without strong dependence on force field choice

B. Pettitt, M. Feig, J. Marko, 2003 .

Ordinary differential equations of molecular dynamics

Bernard Pettitt, J. A. McCammon, L. R. Scott, 1994 .

On the mechanism of hydrophobic association of nanoscopic solutes.

B Montgomery Pettitt, B. Pettitt, N. Choudhury, 2005, Journal of the American Chemical Society.

Determination of the transition-state entropy for aggregation suggests how the growth of sickle cell hemoglobin polymers can be slowed.

R. Nagel, B. Pettitt, P. Vekilov, 2008, Journal of molecular biology.

Salting in peptides: Conformationally dependent solubilities and phase behavior of a tripeptide zwitterion in electrolyte solution

B. Pettitt, J. Perkyns, Yiyang Wang, 1996 .

Comparison of simulated and experimentally determined dynamics for a variant of the Lacl DNA-binding domain, Nlac-P.

B. Pettitt, L. Swint-Kruse, K. Matthews, 1998, Biophysical journal.

Sodium and chlorine ions as part of the DNA solvation shell.

B. Pettitt, M. Feig, Michael Feig, 1999, Biophysical journal.

Integral equation approaches to structure and thermodynamics of aqueous salt solutions.

B. Pettitt, J. Perkyns, 1994, Biophysical chemistry.

Accurate prediction of binding thermodynamics for DNA on surfaces.

B. Pettitt, A. Vainrub, 2011, The journal of physical chemistry. B.

A Perspective on “Volume and heat of hydration of ions”

B. Pettitt, 2000 .

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

B M Pettitt, V. Lounnas, B. Pettitt, 1994, Proteins.

Diffusion of solvent around biomolecular solutes: a molecular dynamics simulation study.

M Feig, B M Pettitt, B. Pettitt, 1998, Biophysical journal.

The interionic potential of mean force in a molecular polar solvent from an extended RISM equation

B. Montgomery Pettitt, Fumio Hirata, Peter J. Rossky, 1983 .

Configurational entropy of native proteins.

M Karplus, B M Pettitt, M. Karplus, 1987, Biophysical journal.

Local density profiles are coupled to solute size and attractive potential for nanoscopic hydrophobic solutes

B. Pettitt, N. Choudhury, 2005 .

Theoretical considerations for the efficient design of dna arrays

B. Montgomery Pettitt, Yuriy Fofanov, B. Pettitt, 2003 .

Optimal updating magnitude in adaptive flat-distribution sampling.

Justin A. Drake, Jianpeng Ma, B. Pettitt, 2017, The Journal of chemical physics.

Aspects of the design of conformationally constrained peptides.

B. Pettitt, P. E. Smith, F. Al-Obeidi, 1991, Methods in enzymology.

New Approaches to Solvent-Mediated Molecular Interactions

P. Rossky, B. Pettitt, 1986 .

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

B. Montgomery Pettitt, S. Lennart Johnsson, Michael Feig, 1999, Future Gener. Comput. Syst..

Computationally useful bridge diagram series. II. Diagrams in h-bonds

B. Pettitt, J. Perkyns, K. Dyer, 2002 .

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

B. Montgomery Pettitt, Jeffry D. Madura, J. Madura, 1988 .

Effects of salt on the structure and dynamics of the bis(penicillamine) enkephalin zwitterion : a simulation study

Bernard Pettitt, B. Pettitt, Paul Smith, 1991 .

A sampling problem in molecular dynamics simulations of macromolecules.

B M Pettitt, G. Phillips, B. Pettitt, 1995, Proceedings of the National Academy of Sciences of the United States of America.

A reexamination of virial coefficients of the Lennard-Jones fluid

B. Pettitt, J. Perkyns, K. Dyer, 2001 .

Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution

B. Montgomery Pettitt, Peter J. Rossky, P. Rossky, 1986 .

Convergence of the Chemical Potential in Aqueous simulations

B. Montgomery Pettitt, Michael H. Mazor, B. Pettitt, 1991 .

Structural basis for the activity of pp60(c-src) protein tyrosine kinase inhibitors.

J. McMurray, B. Pettitt, N. Prabhu, 2001, Biopolymers.

A microscopic view of protein solvation

B. Montgomery Pettitt, V. Lounnas, B. Pettitt, 1992 .

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

B. Pettitt, L. Swint-Kruse, K. Matthews, 2002, Protein science : a publication of the Protein Society.

On the structure of high-density water at constant temperature

B. Pettitt, D. Calef, 1987 .

Advantage of being a dimer for Serratia marcescens endonuclease.

B. Pettitt, Chuanyin Chen, B. Pettitt, 2009, The journal of physical chemistry. B.

Ion and solvent density distributions around canonical B-DNA from integral equations.

Gillian C. Lynch, B. Pettitt, J. J. Howard, 2011, The journal of physical chemistry. B.

Application of an extended RISM equation to dipolar and quadrupolar fluids

B. Montgomery Pettitt, Fumio Hirata, Peter J. Rossky, 1982 .

The potential of mean force between polyatomic molecules in polar molecular solvents

M. Karplus, B. Pettitt, 1985 .

The coupling of long and short range correlations in ISM liquids

P. Rossky, B. Pettitt, G. Stell, 1983 .

An Integral Equation Study of the Hydrophobic Interaction between Graphene Plates.

B. Pettitt, N. Choudhury, J. Perkyns, 2008, Journal of chemical theory and computation.

Molecular dynamics with a variable number of molecules

B. Montgomery Pettitt, Tahir Cagin, B. Pettitt, 1991 .

A theoretical study of the inclusion complexes of β‐quinol

B. Pettitt, L. Dang, 1988 .

A new boundary condition for computer simulations of interfacial systems

B. Pettitt, Ka-Yiu Wong, 2000 .

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

B M Pettitt, V. Lounnas, B. Pettitt, 1994, Proteins.

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

M Feig, B M Pettitt, B. Pettitt, 1999, Journal of molecular biology.

Osmolyte solutions and protein folding

B. Pettitt, Char Y Hu, Joerg Roesgen, 2009, F1000 biology reports.

Orientation of DNA on a surface from simulation.

B. Pettitt, Ka-Yiu Wong, Ka‐Yiu Wong, 2004, Biopolymers.

Flexibility of tripeptides in solution: free energy molecular mechanics.

B. Pettitt, W. Lau, G. L. Ramé, 2009, International journal of peptide and protein research.

A γ-turn structure induced by 2S,3S-2,3-methanomethionine

B. Pettitt, K. Burgess, K. Ho, 1994 .

A molecular site-site integral equation that yields the dielectric constant.

B. Pettitt, G. Stell, J. Perkyns, 2008, The Journal of chemical physics.

Dielectric behavior for saline solutions from renormalized diagrammatically proper interaction site model theory

B. Pettitt, J. Perkyns, K. Dyer, 2016, Journal of physics. Condensed matter : an Institute of Physics journal.

On the Presence of Rotational Ewald Artifacts in the Equilibrium and Dynamical Properties of a Zwitterionic Tetrapeptide in Aqueous Solution

B. Pettitt, Paul E. Smith, H. Blatt, 1997 .

The behavior of ions near a charged wall-dependence on ion size, concentration, and surface charge.

B. Pettitt, J. Perkyns, J. J. Howard, 2010, The journal of physical chemistry. B.

Automatic Generation of FFT for Translations of Multipole Expansions in Spherical Harmonics

Jakub Kurzak, Dragan Mirkovic, B. Montgomery Pettitt, 2008, Int. J. High Perform. Comput. Appl..

Massively parallel implementation of a fast multipole method for distributed memory machines

Jakub Kurzak, B. Montgomery Pettitt, J. Kurzak, 2005, J. Parallel Distributed Comput..

Hydration effects on the electrostatic potential around tuftsin.

B. Pettitt, L. Yang, C. V. Valdeavella, 1999, Biopolymers.

Dynamical search for bis-penicillamine enkephalin conformations.

M Karplus, B M Pettitt, V J Hruby, 1991, Biophysical journal.

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

Gillian C. Lynch, B. Pettitt, J. Perkyns, 2010, The Journal of chemical physics.

Transport properties of water at functionalized molecular interfaces.

B. Pettitt, Jun Feng, Ka-Yiu Wong, 2009, The Journal of chemical physics.

Computationally useful bridge diagram series. III. Lennard-Jones mixtures

B. Pettitt, J. Perkyns, K. Dyer, 2002 .

Kirkwood-Buff Thermodynamics Derived from Grand Canonical Molecular Dynamics and DRISM Calculations

B. Montgomery Pettitt, Gillian C. Lynch, B. Pettitt, 1999 .

Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches

Bernard Pettitt, Gillian C. Lynch, B. Pettitt, 1997 .

An angle dependent site-renormalized theory for the conformations of n-butane in a simple fluid.

B. Pettitt, G. Stell, J. Perkyns, 2007, Condensed matter physics.

Ideal chemical potential contribution in molecular dynamics simulations of the grand canonical ensemble

B. Montgomery Pettitt, Samantha Weerasinghe, B. Pettitt, 1994 .

Dynamic simulations of water at constant chemical potential

B. Montgomery Pettitt, Jie Ji, B. Pettitt, 1992 .

Dynamics of water trapped between hydrophobic solutes.

B Montgomery Pettitt, B. Pettitt, N. Choudhury, 2005, The journal of physical chemistry. B.

Proximal distributions from angular correlations: a measure of the onset of coarse-graining.

B. Pettitt, K. Dyer, B. Pettitt, 2013, The Journal of chemical physics.

A site-renormalized molecular fluid theory.

B. Pettitt, J. Perkyns, K. Dyer, 2007, The Journal of chemical physics.

Effective density terms in proper integral equations.

B. Pettitt, J. Perkyns, K. Dyer, 2005, The Journal of chemical physics.

Simple bond length dependence: a correspondence between reactive fluid theories.

B. Pettitt, J. Perkyns, K. Dyer, 2005, The Journal of chemical physics.

Quenched molecular dynamics simulations of tuftsin and proposed cyclic analogues.

B M Pettitt, B. Pettitt, P. E. Smith, 1992, Journal of medicinal chemistry.

Solvent effects on model d(CG·G)7 and d(TA·T)7 DNA triple helices

B. Pettitt, Yuen-Kit Cheng, B. Montgomery Pettitt, 1995, Biopolymers.

Peptide Conformations are Restricted by Solution Stability

B. Pettitt, J. Perkyns, 1995 .

THE MELTING MECHANISM OF DNA TETHERED TO A SURFACE.

Gillian C. Lynch, B. Pettitt, K. Qamhieh, 2009, International journal of numerical analysis and modeling.

Time scales and fluctuations of protein dynamics: metmyoglobin in aqueous solution

V. Lounnas, B. Pettitt, S. Subramanian, 1993 .

The pathway of oligomeric DNA melting investigated by molecular dynamics simulations.

B. Pettitt, Ka‐Yiu Wong, 2008, Biophysical journal.

DNA Saline Solutions Near Surfaces

B. Pettitt, A. Vainrub, Ka-Yiu Wong, 2005 .

Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density using proximal Radial Distribution Functions.

B Montgomery Pettitt, Hironori Kokubo, H. Kokubo, 2011, The journal of physical chemistry letters.

Conformations of the glycine dipeptide

B. Pettitt, W. Lau, 1987 .

Preferential solvation in urea solutions at different concentrations: properties from simulation studies.

B Montgomery Pettitt, Hironori Kokubo, H. Kokubo, 2007, The journal of physical chemistry. B.

Simulations of conformers of tuftsin and a cyclic tuftsin analog.

B. Pettitt, C. V. Valdeavella, H. Blatt, 2009, International journal of peptide and protein research.

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

B M Pettitt, B. Pettitt, N. Prabhu, 1999, Biophysical chemistry.

Evidence for a New Spine of Hydration: Solvation of DNA Triple Helices

B. Pettitt, V. Mohan, Paul E. Smith, 1993 .

Role of Electrostatics in the Structure, Energy, and Dynamics of Biomolecules: A Model Study of N-Methylalanylacetamide

M. Karplus, B. Pettitt, 1985 .

Characterizing global substates of myoglobin.

B M Pettitt, G. Phillips, B. Pettitt, 1998, Structure.

Solvation and cavity occupation in biomolecules.

Gillian C. Lynch, B. Pettitt, J. Perkyns, 2015, Biochimica et biophysica acta.

Sensitive quantitative nucleic acid detection using oligonucleotide microarrays.

B Montgomery Pettitt, B. Pettitt, A. Vainrub, 2003, Journal of the American Chemical Society.

Site-renormalised molecular fluid theory: on the utility of a two-site model of water

B. Pettitt, G. Stell, B. Montgomery Pettitt, 2009, Molecular physics.

Enthalpy-entropy contributions to the potential of mean force of nanoscopic hydrophobic solutes.

B. Pettitt, N. Choudhury, 2006, The journal of physical chemistry. B.

Statistical Thermodynamic Approach to the Chemical Activities in Two-Component Solutions

B. Pettitt, D. W. Bolen, J. Rösgen, 2004 .

Grand molecular dynamics: A method for open systems

B. Montgomery Pettitt, Tahir Cagin, B. Pettitt, 1991 .

Geometric considerations in the calculation of relative free energies of activation

J. Madura, B. Pettitt, J. McCammon, 1987 .

The relationship between mutation rates for the (C-G)-->(T-A) transition and features of T-G mispair structures in different neighbor environments, determined by free energy molecular mechanics.

B. Pettitt, R. Blake, R. Mitra, 1993, Nucleic acids research.

The scaling of molecular dynamics on the KSR1

B. Montgomery Pettitt, Robert Haacke, B. Pettitt, 1995, Proceedings of the Twenty-Eighth Annual Hawaii International Conference on System Sciences.

Multilevel level wavelet solver for the Ornstein-Zernike equation

Carl Tim Kelley, Bernard Pettitt, M. V. Federov, 2005 .

Molecular Dynamics of Coat Proteins of the Human Rhinovirus

T. Lybrand, B. Pettitt, W. Lau, 1988 .

The structure of water surrounding a peptide: a theoretical approach

M. Karplus, B. Pettitt, 1987 .

Protein Folding and Collapse: Thermodynamics of Aggregation of Gly5 vs Concentration in Solution

B. Pettitt, Ka‐Yiu Wong, Deepti Karandur, 2014 .

Computation of high-order virial coefficients in high-dimensional hard-sphere fluids by Mayer sampling

Bernard Pettitt, Cheng Zhang, B. Pettitt, 2014 .

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

B. Pettitt, O. Karim, B. Montgomery Pettitt, 1987 .