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

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1992

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

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

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

Dynamics of an Oxazole Compound Bound to a Common Cold Virus

Lau, W. F. & Pettitt, B. M., May 1989, In : Journal of the American Chemical Society. 111, 11, p. 4111-4113 3 p.

Research output: Contribution to journalArticle

6 Scopus citations

Elastic constants of nickel: Variations with respect to temperature and pressure

Çain, T. & Pettitt, B. M., Jan 1 1989, In : Physical Review B. 39, 17, p. 12484-12491 8 p.

Research output: Contribution to journalArticle

39 Scopus citations

Methods for calculating geometries of transition states in solution

Madura, J. D., Pettitt, B. M. & McCammon, J. A., Jan 15 1989, In : Chemical Physics. 129, 2, p. 185-191 7 p.

Research output: Contribution to journalArticle

5 Scopus citations
11 Scopus citations

Thermodynamics of diatomic guests in β-quinol clathrates

Dang, L. X. & Pettitt, B. M., Dec 1 1989, In : Journal of physical chemistry. 93, 9, p. 3794-3799 6 p.

Research output: Contribution to journalArticle

9 Scopus citations
1988

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 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

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

Pettitt, B. M. & Karplus, M., Jan 1 1988, In : Journal of physical chemistry. 92, 13, p. 3994-3997 4 p.

Research output: Contribution to journalArticle

65 Scopus citations

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

Madura, J. D. & Pettitt, B. M., Sep 9 1988, In : Chemical Physics Letters. 150, 1-2, p. 105-108 4 p.

Research output: Contribution to journalArticle

58 Scopus citations

Molecular Dynamics of Coat Proteins of the Human Rhinovirus

Lau, W. F., Pettitt, B. M. & Lybrand, T. P., Dec 1988, In : Molecular Simulation. 1, 6, p. 385-398 14 p.

Research output: Contribution to journalArticle

8 Scopus citations
131 Scopus citations

Water under high pressure

Madura, J. D., Pettitt, B. M. & Calef, D. F., Jun 10 1988, In : Molecular Physics. 64, 2, p. 325-336 12 p.

Research output: Contribution to journalArticle

39 Scopus citations
1987

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

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

Configurational entropy of native proteins

Karplus, M., Ichiye, T. & Pettitt, B. M., Jan 1 1987, In : Biophysical Journal. 52, 6, p. 1083-1085 3 p.

Research output: Contribution to journalArticle

Open Access
160 Scopus citations

Conformations of the glycine dipeptide

Lau, W. F. & Pettitt, B., 1987, In : Biopolymers. 26, 11, p. 1817-1831 15 p.

Research output: Contribution to journalArticle

31 Scopus citations

Geometric considerations in the calculation of relative free energies of activation

Madura, J. D., Pettitt, B. M. & McCammon, J. A., Oct 30 1987, In : Chemical Physics Letters. 141, 1-2, p. 83-87 5 p.

Research output: Contribution to journalArticle

6 Scopus citations

On the structure of high-density water at constant temperature

Pettitt, B. M. & Calef, D. F., Jan 1 1987, In : Journal of physical chemistry. 91, 6, p. 1541-1545 5 p.

Research output: Contribution to journalArticle

16 Scopus citations

Simple intramolecular model potentials for water

Dang, L. X. & Pettitt, B. M., Jan 1 1987, In : Journal of physical chemistry. 91, 12, p. 3349-3354 6 p.

Research output: Contribution to journalArticle

216 Scopus citations

Solvated chloride ions at contact

Dang, L. X. & Pettitt, B. M., Jan 1 1987, In : The Journal of Chemical Physics. 86, 11, p. 6560-6561 2 p.

Research output: Contribution to journalArticle

56 Scopus citations

The structure of water surrounding a peptide: a theoretical approach

Montgomery Pettitt, B. & Karplus, M., May 15 1987, In : Chemical Physics Letters. 136, 5, p. 383-386 4 p.

Research output: Contribution to journalArticle

32 Scopus citations

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

Karim, O. A. & Pettitt, B. M., May 29 1987, In : Chemical Physics Letters. 137, 1, p. 72-77 6 p.

Research output: Contribution to journalArticle

9 Scopus citations
1986
76 Scopus citations

New Approaches to Solvent‐Mediated Molecular Interactions

Pettitt, B. & Rossky, P. J., 1986, In : Israel Journal of Chemistry. 27, 2, p. 156-162 7 p.

Research output: Contribution to journalArticle

6 Scopus citations
1985

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
56 Scopus citations

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

Brooks, C. L., Pettitt, B. M. & Karplus, M., Jan 1 1985, In : The Journal of Chemical Physics. 83, 11, p. 5897-5908 12 p.

Research output: Contribution to journalArticle

252 Scopus citations

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

Pettitt, B. M. & Karplus, M., Jan 1 1985, In : The Journal of Chemical Physics. 83, 2, p. 781-789 9 p.

Research output: Contribution to journalArticle

24 Scopus citations

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

Montgomery Pettitt, B. & Karplus, M., Nov 8 1985, In : Chemical Physics Letters. 121, 3, p. 194-201 8 p.

Research output: Contribution to journalArticle

151 Scopus citations
1984

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