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

1994
79 Scopus citations

Erratum: A site-site theory for finite concentration saline solutions [J. Chem. Phys. 97, 7656 (1992)]

Perkyns, J. & Montgomery Pettitt, B., Jun 1 1994, In : Journal of Chemical Physics. 100, 11, 1 p.

Research output: Contribution to journalComment/debate

3 Scopus citations

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

Weerasinghe, S. & Montgomery Pettitt, B., Aug 10 1994, In : Molecular Physics. 82, 5, p. 897-912 16 p.

Research output: Contribution to journalArticle

38 Scopus citations

Integral equation approaches to structure and thermodynamics of aqueous salt solutions

Perkyns, J. & Montgomery Pettitt, B., Aug 1994, In : Biophysical Chemistry. 51, 2-3, p. 129-146 18 p.

Research output: Contribution to journalReview article

32 Scopus citations

Investigations into the common ion effect

Valdeavella, C. V., Perkyns, J. S. & Montgomery Pettitt, B., Jan 1 1994, In : The Journal of Chemical Physics. 101, 6, p. 5093-5109 17 p.

Research output: Contribution to journalArticle

10 Scopus citations

Modeling solvent in biomolecular systems

Smith, P. E. & Pettitt, B. M., Jan 1 1994, In : Journal of physical chemistry. 98, 39, p. 9700-9711 12 p.

Research output: Contribution to journalReview article

146 Scopus citations

Molecular dynamics at a constant pH

Mertz, J. E. & Pettitt, B. M., Mar 1994, In : International Journal of High Performance Computing Applications. 8, 1, p. 47-53 7 p.

Research output: Contribution to journalArticle

43 Scopus citations

On the solubility of aqueous electrolytes

Perkyns, J. & Montgomery Pettitt, B., Jan 1 1994, In : Journal of physical chemistry. 98, 19, p. 5147-5151 5 p.

Research output: Contribution to journalArticle

16 Scopus citations

Ordinary differential equations of molecular dynamics

McCammon, J. A., Pettitt, B. M. & Scott, L. R., Jan 1 1994, In : Computers and Mathematics with Applications. 28, 10-12, p. 319-326 8 p.

Research output: Contribution to journalArticle

3 Scopus citations

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

Ji, J. & Montgomery Pettitt, B., May 1994, In : Molecular Physics. 82, 1, p. 67-83 17 p.

Research output: Contribution to journalArticle

12 Scopus citations

Sulfate anion in water: Model structural, thermodynamic, and dynamic properties

Cannon, W. R., Pettitt, B. M. & McCammon, J. A., Jan 1 1994, In : Journal of physical chemistry. 98, 24, p. 6225-6230 6 p.

Research output: Contribution to journalArticle

146 Scopus citations
1993

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

Mohan, V., Smith, P. E. & Pettitt, B. M., Oct 1 1993, In : Journal of the American Chemical Society. 115, 20, p. 9297-9298 2 p.

Research output: Contribution to journalEditorial

27 Scopus citations

Molecular dynamics simulation of ions and water around triplex DNA

Mohan, V., Smith, P. E. & Pettitt, B. M., Jan 1 1993, In : Journal of physical chemistry. 97, 49, p. 12984-12990 7 p.

Research output: Contribution to journalArticle

31 Scopus citations

Molecular recognition of watson–crick base‐pair reversals in triple‐helix formation: Use of nonnatural oligonucleotide bases

Mohan, V., Cheng, Y. K., Marlow, G. E. & Pettitt, B. M., Sep 1993, In : Biopolymers. 33, 9, p. 1317-1325 9 p.

Research output: Contribution to journalArticle

7 Scopus citations

On the Mechanism of HRV-14 Antiviral Compounds: “Slow Growth” as a Conformational Search Procedure

Guha-Biswas, M., Holder, M. & Pettitt, B. M., Nov 12 1993, In : Journal of Medicinal Chemistry. 36, 23, p. 3489-3495 7 p.

Research output: Contribution to journalArticle

6 Scopus citations

Peptides in Ionic Solutions: A Simulation Study of a Bis(penicillamine) Enkephalin in Sodium Acetate Solution

Smith, P. E., Marlow, G. E. & Pettitt, B. M., Aug 1 1993, In : Journal of the American Chemical Society. 115, 16, p. 7493-7498 6 p.

Research output: Contribution to journalArticle

26 Scopus citations

Salt Effects in Peptide Solutions: Theory and Simulation

Marlow, G. E., Perkyns, J. S. & Pettitt, B. M., Jan 1 1993, In : Chemical Reviews. 93, 7, p. 2503-2521 19 p.

Research output: Contribution to journalArticle

36 Scopus citations

Stochastic dynamics simulations of the alanine dipeptide using a solvent-modified potential energy surface

Smith, P. E., Pettitt, B. M. & Karplus, M., Jan 1 1993, In : Journal of physical chemistry. 97, 26, p. 6907-6913 7 p.

Research output: Contribution to journalArticle

63 Scopus citations
13 Scopus citations

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

Kessler, D. J., Pettitt, B. M., Cheng, Y. K., Smith, S. R., Jayaraman, K., Muv, H. M. & Hogan, M. E., Oct 11 1993, In : Nucleic acids research. 21, 20, p. 4810-4815 6 p.

Research output: Contribution to journalArticle

28 Scopus citations
1992

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

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 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

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

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

Mohan, V., Davis, M. E., McCammon, J. A. & Pettitt, B. M., Jan 1 1992, In : Journal of physical chemistry. 96, 15, p. 6428-6431 4 p.

Research output: Contribution to journalArticle

121 Scopus citations

Dynamic simulations of water at constant chemical potential

Ji, J., Çaǧin, T. & Pettitt, B. M., Jan 1 1992, In : The Journal of Chemical Physics. 96, 2, p. 1333-1342 10 p.

Research output: Contribution to journalArticle

58 Scopus citations

Hoogsteen versus Reversed-Hoogsteen Base Pairing: DNA Triple Helices

Cheng, Y. K. & Pettitt, B. M., Jun 1 1992, In : Journal of the American Chemical Society. 114, 12, p. 4465-4474 10 p.

Research output: Contribution to journalArticle

55 Scopus citations

Molecular dynamics on a distributed‐memory multiprocessor

Lin, S. L., Mellor‐Crummey, J., Pettitt, B. M. & Phillips, G. N., Oct 1992, In : Journal of Computational Chemistry. 13, 8, p. 1022-1035 14 p.

Research output: Contribution to journalArticle

32 Scopus citations

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

Kouri, D. J., Zhu, W., Ma, X., Pettitt, B. M. & Hoffman, D. K., Jan 1 1992, In : Journal of physical chemistry. 96, 24, p. 9622-9630 9 p.

Research output: Contribution to journalArticle

61 Scopus citations

On the correlation between like ion pairs in water

Dang, L. X., Pettitt, B. M. & Rossky, P. J., Jan 1 1992, In : The Journal of Chemical Physics. 96, 5, p. 4046-4047 2 p.

Research output: Contribution to journalComment/debate

66 Scopus citations

Quenched Molecular Dynamics Simulations of Tuftsin and Proposed Cyclic Analogs

O'Connor, S. D., Smith, P. E., Al-Obeidi, F. & Pettitt, B. M., Jul 1 1992, In : Journal of Medicinal Chemistry. 35, 15, p. 2870-2881 12 p.

Research output: Contribution to journalArticle

71 Scopus citations

Stabilities of double- and triple-strand helical nucleic acids

Cheng, Y. K. & Pettitt, B. M., 1992, In : Progress in Biophysics and Molecular Biology. 58, 3, p. 225-257 33 p.

Research output: Contribution to journalArticle

144 Scopus citations
1991

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

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

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

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

Convergence of the chemical potential in aqueous simulations

Mazor, M. & Pettitt, B., 1991, In : Molecular Simulation. 6, 1-3, p. 1-4 4 p.

Research output: Contribution to journalArticle

39 Scopus citations

Dynamical search for bis-penicillamine enkephalin conformations

Pettitt, B. M., Matsunaga, T., al-Obeidi, F., Gehrig, C., Hruby, V. J. & Karplus, M., Jan 1 1991, In : Biophysical Journal. 60, 6, p. 1540-1544 5 p.

Research output: Contribution to journalArticle

Open Access
66 Scopus citations

Effects of Salt on the Structure and Dynamics of the Bis(penicillamine) Enkephalin Zwitterion: A Simulation Study

Smith, P. E. & Pettitt, B. M., Jul 1 1991, In : Journal of the American Chemical Society. 113, 16, p. 6029-6037 9 p.

Research output: Contribution to journalArticle

87 Scopus citations

Grand molecular dynamics: A method for open systems

çaĝin, T. & Pettitt, B. M., Mar 1991, In : Molecular Simulation. 6, 1-3, p. 5-26 22 p.

Research output: Contribution to journalArticle

84 Scopus citations

Molecular dynamics with a variable number of molecules

Çaǧin, T. & Pettitt, B. M., Jan 1991, In : Molecular Physics. 72, 1, p. 169-175 7 p.

Research output: Contribution to journalArticle

84 Scopus citations

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

Smith, P. E. & Montgomery Pettitt, B., Jan 1 1991, In : Journal of Chemical Physics. 95, 11, p. 8430-8441 12 p.

Research output: Contribution to journalReview article

153 Scopus citations

Simulation of the Structure and Dynamics of the Bis(penicillamine) Enkephalin Zwitterion

Smith, P. E., Dang, L. X. & Montgomery Pettitt, B., Jan 1 1991, In : Journal of the American Chemical Society. 113, 1, p. 67-73 7 p.

Research output: Contribution to journalArticle

58 Scopus citations
1990

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

Diatomic intercalation in lamellar graphite compounds

Chen, Z. M. & Pettitt, B. M., Jan 1 1990, In : Physical Review B. 42, 13, p. 8173-8178 6 p.

Research output: Contribution to journalArticle

3 Scopus citations

Flexibility of tripeptides in solution: free energy molecular mechanics

RAMÉ, GRACIELA. L., LAU, WAN. F. & PETTITT, B. MONTGOMERY., Apr 1990, In : International Journal of Peptide and Protein Research. 35, 4, p. 315-327 13 p.

Research output: Contribution to journalArticle

22 Scopus citations
1989

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

Al-Obeidi, F., Hruby, V. J., Hadley, M. E. & Pettitt, B. M., Apr 1989, In : Journal of the American Chemical Society. 111, 9, p. 3413-3416 4 p.

Research output: Contribution to journalArticle

158 Scopus citations