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

Article

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

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

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

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

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

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

Combined hopping-superexchange model of a hole transfer in DNA

Lakhno, V. D., Sultanov, V. B. & Pettitt, B. M., Dec 11 2004, In : Chemical Physics Letters. 400, 1-3, p. 47-53 7 p.

Research output: Contribution to journalArticle

21 Scopus citations

Communication: Origin of the contributions to DNA structure in phages

Myers, C. G. & Pettitt, B. M., Feb 21 2013, In : Journal of Chemical Physics. 138, 7, 071103.

Research output: Contribution to journalArticle

5 Scopus citations

Communications overlapping in fast multipole particle dynamics methods

Kurzak, J. & Pettitt, B. M., Mar 1 2005, In : Journal of Computational Physics. 203, 2, p. 731-743 13 p.

Research output: Contribution to journalArticle

12 Scopus citations

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

Swint-Kruse, L., Matthews, K. S., Smith, P. E. & Pettitt, B. M., Jan 1998, In : Biophysical journal. 74, 1, p. 413-421 9 p.

Research output: Contribution to journalArticle

Open Access
15 Scopus citations

Comparison of structural theories for graphite intercalation compounds

Chen, Z. M., Pettitt, B. M., Reiter, G., Moss, S. C. & Karim, O. A., Jan 1 1992, In : Physical Review B. 46, 16, p. 10476-10478 3 p.

Research output: Contribution to journalArticle

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

Prabhu, N. V., Perkyns, J. S., Blatt, H. D., Smith, P. E. & Pettitt, B. M., Apr 5 1999, In : Biophysical Chemistry. 78, 1-2, p. 113-126 14 p.

Research output: Contribution to journalArticle

11 Scopus citations