B. Montgomery Pettitt

发表

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..

Molecular Dynamics At a Constant pH

B. Montgomery Pettitt, John E. Mertz, 1994, Int. J. High Perform. Comput. Appl..

How independent are the appearances of n-mers in different genomes?

Yi Luo, B. Montgomery Pettitt, Yuriy Fofanov, 2004, Bioinform..

Phage‐like packing structures with mean field sequence dependence

B. Montgomery Pettitt, Christopher G. Myers, B. Pettitt, 2017, J. Comput. Chem..

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.

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.

The unsolved “solved-problem” of protein folding

B. Montgomery Pettitt, B. Pettitt, B. Montgomery Pettitt, 2013, Journal of biomolecular structure & dynamics.

The Next Generation Research Grid: A Path Forward: Final Report

Gerhard Klimeck, B. Montgomery Pettitt, Roscoe Giles, 2008 .

Numerical simulation of the sedimentation of a tripole-like body in an incompressible viscous fluid

B. Montgomery Pettitt, Roland Glowinski, Lorenzo Héctor Juárez, 2002, Appl. Math. Lett..

Force field‐dependent solution properties of glycine oligomers

B. Montgomery Pettitt, Justin A. Drake, B. Pettitt, 2015, J. Comput. Chem..

Using Statistical Properties of Short Subsequences in Microbial Identification

B. Montgomery Pettitt, Yuriy Fofanov, Richard C. Willson, 2004, International Conference on Mathematics and Engineering Techniques in Medicine and Biological Scienes.

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..

Electrostatic solvation free energy of amino acid side chain analogs: Implications for the validity of electrostatic linear response in water

B. Montgomery Pettitt, Bin Lin, 2011, J. Comput. Chem..

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

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

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..

Monte Carlo evaluation of real-time Feynman path integrals for quantal many-body dynamics: Distributed approximating functions and Gaussian sampling

B. Montgomery Pettitt, Wei Zhu, Donald J. Kouri, 1993 .

Dynamical Simulation Methods

B. Montgomery Pettitt, Martin Karplus, Charles L. Brooks, 1988 .

Efficient Ewald electrostatic calculations for large systems

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

A dielectrically consistent interaction site theory for solvent—electrolyte mixtures

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

Grand molecular dynamics: A method for open systems

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

Communications overlapping in fast multipole particle dynamics methods

Jakub Kurzak, B. Montgomery Pettitt, 2005 .

Molecular dynamics with a variable number of molecules

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

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 .

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

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

Theoretical considerations for the efficient design of dna arrays

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

MODELING SOLVENT IN BIOMOLECULAR SYSTEMS

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

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 .

A microscopic view of protein solvation

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

Ewald artifacts in liquid state molecular dynamics simulations

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

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 .

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 .

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

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

Molecular dynamics simulation of ions and water around triplex DNA

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

Conformational free energy of hydration for the alanine dipeptide: Thermodynamic analysis

B. Montgomery Pettitt, Martin Karplus, 1988 .

Dynamic simulations of water at constant chemical potential

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

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 .

Convergence of the Chemical Potential in Aqueous simulations

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

Integral equation predictions of liquid state structure for waterlike intermolecular potentials

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

Application of an extended RISM equation to dipolar and quadrupolar fluids

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

Simple intramolecular model potentials for water

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

A site-site theory for finite concentration saline solutions

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

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

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

PaulingWorld : An Immersive Environment for Collaborative Exploration of Molecular Structures and Interactions

B. Montgomery Pettitt, R. Bowen Loftin, Katy Ash, 1998 .

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

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