Bernard Pettitt, PhD

Director, Sealy Center for Structural Biology

  • 12189 Citations
  • 62 h-Index
1978 …2021

Research output per year

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Research Output

A cavity corrected 3D-RISM functional for accurate solvation free energies

Truchon, J. F., Pettitt, B. M. & Labute, P., Mar 11 2014, In : Journal of Chemical Theory and Computation. 10, 3, p. 934-941 8 p.

Research output: Contribution to journalArticle

82 Scopus citations

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

Zhang, C., Lai, C. L. & Pettitt, B., Sep 1 2016, In : Molecular Simulation. 42, 13, p. 1079-1089 11 p.

Research output: Contribution to journalArticle

8 Scopus citations

Accurate prediction of binding thermodynamics for DNA on surfaces

Vainrub, A. & Pettitt, B. M., Nov 17 2011, In : Journal of Physical Chemistry B. 115, 45, p. 13300-13303 4 p.

Research output: Contribution to journalArticle

19 Scopus citations
105 Scopus citations

Activity coefficient comparisons of forcefields: High precision chemical potentials of urea

Pettitt, B. M. & Kokubo, H., Dec 28 2007, 233rd ACS National Meeting, Abstracts of Scientific Papers. (ACS National Meeting Book of Abstracts).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

A dielectrically consistent interaction site theory for solvent-electrolyte mixtures

Perkyns, J. S. & Montgomery Pettitt, B., Mar 20 1992, In : Chemical Physics Letters. 190, 6, p. 626-630 5 p.

Research output: Contribution to journalArticle

174 Scopus citations
4 Scopus citations

Advantage of being a dimer for Serratia marcescens endonuclease

Chen, C., Krause, K. & Pettitt, B. M., Jan 15 2009, In : Journal of Physical Chemistry B. 113, 2, p. 511-521 11 p.

Research output: Contribution to journalArticle

8 Scopus citations

A fast solver for the Ornstein-Zernike equations

Kelley, C. T. & Pettitt, B. M., Jul 1 2004, In : Journal of Computational Physics. 197, 2, p. 491-501 11 p.

Research output: Contribution to journalArticle

17 Scopus citations

A global model of the protein-solvent interface

Lounnas, V., Pettitt, B. M. & Phillips, G. N., Jan 1 1994, In : Biophysical Journal. 66, 3, p. 601-614 14 p.

Research output: Contribution to journalArticle

Open Access
141 Scopus citations

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

Pettitt, B. M. & Rossky, P. J., Dec 1 1985, In : The Journal of Chemical Physics. 84, 1, p. 5836-5844 9 p.

Research output: Contribution to journalArticle

473 Scopus citations

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

Nassar, O. M., Wong, K. Y., Lynch, G. C., Smith, T. J. & Pettitt, B. M., Dec 1 2019, In : Protein Science. 28, 12, p. 2080-2088 9 p.

Research output: Contribution to journalArticle

A method for modeling icosahedral virions: Rotational symmetry boundary conditions

Çağin, T., Holder, M. & Pettitt, B., 1991, In : Journal of Computational Chemistry. 12, 5, p. 627-634 8 p.

Research output: Contribution to journalArticle

28 Scopus citations

A microscopic view of protein solvation

Lounnas, V., Pettitt, B. M., Findsen, L. & Subramaniam, S., Jan 1 1992, In : Journal of physical chemistry. 96, 18, p. 7157-7159 3 p.

Research output: Contribution to journalArticle

36 Scopus citations

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

Smith, P. E. & Pettitt, B. M., Dec 1992, In : Biopolymers. 32, 12, p. 1623-1629 7 p.

Research output: Contribution to journalArticle

16 Scopus citations

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

Ambia-Garrido, J., Vainrub, A. & Pettitt, B. M., Dec 1 2010, In : Computer Physics Communications. 181, 12, p. 2001-2007 7 p.

Research output: Contribution to journalArticle

36 Scopus citations

A molecular simulation picture of DNA hydration around A- And B-DNA

Feig, M. & Montgomery Pettitt, B., Jan 1 1998, In : Biopolymers. 48, 4, p. 199-209 11 p.

Research output: Contribution to journalArticle

83 Scopus citations

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

Dyer, K. M., Perkyns, J. S., Stell, G. & Pettitt, B. M., Sep 19 2008, In : Journal of Chemical Physics. 129, 10, 104512.

Research output: Contribution to journalArticle

21 Scopus citations

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

Rösgen, J., Pettitt, B. M. & Bolen, D. W., Apr 1 2007, In : Protein Science. 16, 4, p. 733-743 11 p.

Research output: Contribution to journalArticle

75 Scopus citations

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

Dyer, K., Perkyns, J., Pettitt, B. & Steli, G., Jan 1 2007, In : Condensed Matter Physics. 10, 3, p. 331-342 12 p.

Research output: Contribution to journalArticle

Open Access
6 Scopus citations

A new boundary condition for computer simulations of interfacial systems

Wong, K. Y. & Pettitt, B. M., Aug 18 2000, In : Chemical Physics Letters. 326, 3-4, p. 193-198 6 p.

Research output: Contribution to journalArticle

14 Scopus citations

A non-Watson-Crick motif of base-pairing on surfaces for untethered oligonucleotides

Wong, K. Y., Vainrub, A., Powdrill, T., Hogan, M. & Pettitt, B. M., Feb 15 2004, In : Molecular Simulation. 30, 2-3, p. 121-129 9 p.

Research output: Contribution to journalArticle

11 Scopus citations

A Perspective on "volume and heat of hydration of ions"

Pettitt, B. M., Feb 2000, In : Theoretical Chemistry Accounts. 103, 3-4, p. 171-172 2 p.

Research output: Contribution to journalReview article

8 Scopus citations

Application of an extended RISM equation to dipolar and quadrupolar fluids

Hirata, F., Pettitt, B. M. & Rossky, P. J., Jan 1 1982, In : The Journal of Chemical Physics. 77, 1, p. 509-520 12 p.

Research output: Contribution to journalArticle

265 Scopus citations

Aqueous Solvation of N-Methylacetamide Conformers: Comparison of Simulations and Integral Equation Theories

Yu, H. A., Karplus, M. & Pettitt, B. M., Jan 1 1991, In : Journal of the American Chemical Society. 113, 7, p. 2425-2434 10 p.

Research output: Contribution to journalArticle

78 Scopus citations

A reexamination of virial coefficients of the Lennard-Jones fluid

Dyer, K. M., Perkyns, J. S. & Pettitt, B. M., Jan 1 2001, In : Theoretical Chemistry Accounts. 105, 3, p. 244-251 8 p.

Research output: Contribution to journalArticle

14 Scopus citations

A sampling problem in molecular dynamics simulations of macromolecules

Clarage, J. B., Romo, T., Andrews, B. K., Pettitt, B. M. & Phillips, G. N., Apr 11 1995, In : Proceedings of the National Academy of Sciences of the United States of America. 92, 8, p. 3288-3292 5 p.

Research output: Contribution to journalArticle

Open Access
152 Scopus citations

A simple two-dimensional representation for the common secondary structural elements of polypeptides and proteins

Smith, P. E., Blatt, H. D. & Pettitt, B. M., Jan 1 1997, In : Proteins: Structure, Function and Genetics. 27, 2, p. 227-233 7 p.

Research output: Contribution to journalArticle

A site-renormalized molecular fluid theory

Dyer, K. M., Perkyns, J. S. & Pettitt, B. M., Nov 29 2007, In : Journal of Chemical Physics. 127, 19, 194506.

Research output: Contribution to journalArticle

19 Scopus citations

A site-site theory for finite concentration saline solutions

Perkyns, J. & Pettitt, B. M., Jan 1 1992, In : The Journal of Chemical Physics. 97, 10, p. 7656-7666 11 p.

Research output: Contribution to journalArticle

244 Scopus citations

Aspects of the Design of Conformationally Constrained Peptides

Smith, P. E., Al-Obeidi, F. & Montgomery Pettitt, B., Jan 1991, In : Methods in enzymology. 202, C, p. 411-436 26 p.

Research output: Contribution to journalArticle

5 Scopus citations

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

Wong, K. Y. & Pettitt, B. M., Jul 1 2001, In : Theoretical Chemistry Accounts. 106, 3, p. 233-235 3 p.

Research output: Contribution to journalArticle

42 Scopus citations

A study of model energetics and conformational properties of polynucleotide triplexes

Van Vlijmen, H. W. T., Rameé, G. L. & Pettitt, B. M., 1990, In : Biopolymers. 30, 5-6, p. 517-532 16 p.

Research output: Contribution to journalArticle

21 Scopus citations

A theoretical study of like ion pairs in solution

Dang, L. X. & Montgomery Pettitt, B., Jan 1 1990, In : Journal of Physical Chemistry®. 94, 10, p. 4303-4308 6 p.

Research output: Contribution to journalArticle

102 Scopus citations

A theoretical study of the inclusion complexes of β-quinol

Dang, L. X. & Pettitt, B. M., Jan 1 1988, In : The Journal of Chemical Physics. 89, 2, p. 968-974 7 p.

Research output: Contribution to journalArticle

7 Scopus citations

A theoretical study of the structure of shocked water

Calef, D. F. & Pettitt, B. M., Aug 21 1987, In : Chemical Physics Letters. 139, 2, p. 129-133 5 p.

Research output: Contribution to journalArticle

7 Scopus citations

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

Chen, Z. M., Karim, O. A. & Pettitt, B. M., Jan 1 1988, In : The Journal of Chemical Physics. 89, 2, p. 1042-1048 7 p.

Research output: Contribution to journalArticle

16 Scopus citations

Automatic generation of FFT for translations of multipole expansions in spherical harmonics

Kurzak, J., Mirkovic, D., Pettitt B., M. B. & Johnsson S., L. S., Jun 1 2008, In : International Journal of High Performance Computing Applications. 22, 2, p. 219-230 12 p.

Research output: Contribution to journalArticle

2 Scopus citations

A γ-Turn Structure Induced by 2S, 3S-2, 3-Methanomethionine

Burgess, K., Ho, K. K. & Pettitt, B. M., Jan 1 1994, In : Journal of the American Chemical Society. 116, 2, p. 799-800 2 p.

Research output: Contribution to journalArticle

84 Scopus citations

Backbone additivity in the transfer model of protein solvation

Hu, C. Y., Kokubo, H., Lynch, G. C., Bolen, D. W. & Pettitt, B. M., May 1 2010, In : Protein Science. 19, 5, p. 1011-1022 12 p.

Research output: Contribution to journalArticle

64 Scopus citations

Binary-solution critical opalescence: Mole fraction versus temperature phase diagram

Stenland, C. & Pettitt, B. M., Dec 1 1995, In : Journal of Chemical Education. 73, 6, p. 560-564 5 p.

Research output: Contribution to journalArticle

5 Scopus citations

Binding of Triple Helix Forming Oligonucleotides to Sites in Gene Promoters

Durland, R. H., Kessler, D. J., Gunnell, S., Hogan, M. E., Duvic, M. & Pettitt, B. M., Sep 1 1991, In : Biochemistry. 30, 38, p. 9246-9255 10 p.

Research output: Contribution to journalArticle

250 Scopus citations

Biopolymers: Preface

Pettitt, M., Apr 5 2004, In : Biopolymers. 73, 5, 1 p.

Research output: Contribution to journalEditorial

B to A transition of DNA on the nanosecond time scale

Yang, L. & Pettitt, B. M., Feb 15 1996, In : Journal of physical chemistry. 100, 7, p. 2564-2566 3 p.

Research output: Contribution to journalArticle

88 Scopus citations

Bullied no more: When and how DNA shoves proteins around

Fogg, J. M., Randall, G. L., Pettitt, B. M., Sumners, D. W. L., Harris, S. A. & Zechiedrich, L., Aug 1 2012, In : Quarterly Reviews of Biophysics. 45, 3, p. 257-299 43 p.

Research output: Contribution to journalReview article

39 Scopus citations

Calculation of temperature-dependent multimode resonance Raman line shapes for harmonic potential surfaces

Friesner, R., Pettitt, M. & Jean, J. M., Dec 1 1984, In : The Journal of Chemical Physics. 82, 7, p. 2918-2926 9 p.

Research output: Contribution to journalArticle

22 Scopus citations

Changes in conformational dynamics of basic side chains upon protein-DNA association

Esadze, A., Chen, C., Zandarashvili, L., Roy, S., Pettitt, B. & Iwahara, J., Aug 19 2016, In : Nucleic Acids Research. 44, 14, p. 6961-6970 10 p.

Research output: Contribution to journalArticle

35 Scopus citations

Characterizing global substates of myoglobin

Andrews, B. K., Romo, T., Clarage, J. B., Pettitt, B. M. & Phillips, G. N., May 15 1998, In : Structure. 6, 5, p. 587-594 8 p.

Research output: Contribution to journalArticle

Open Access
38 Scopus citations

Chloride Ion Pairs in Water

Dang, L. X. & Pettitt, B. M., Sep 1 1987, In : Journal of the American Chemical Society. 109, 18, p. 5531-5532 2 p.

Research output: Contribution to journalArticle

87 Scopus citations

Collinear reaction surface for He and ArH+

Pettitt, B. M., Jacobson, K. & Matcha, R. L., Jan 1 1980, In : The Journal of Chemical Physics. 72, 4, p. 2892-2894 3 p.

Research output: Contribution to journalComment/debate

9 Scopus citations