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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Article
1978
11 Scopus citations
1979

Theoretical Compton profile anisotropics in molecules and solids. VI. Compton profile anisotropies and chemical binding

Matcha, R. L. & Pettitt, B. M., Jan 1 1979, In : The Journal of Chemical Physics. 70, 6, p. 3130-3132 3 p.

Research output: Contribution to journalArticle

14 Scopus citations
3 Scopus citations

Theoretical Compton profile anisotropies in molecules and solids. IV. Parallel-perpendicular anisotropies in alkali fluoride molecules

Matcha, R. L., Pettitt, B. M., Ramirez, B. I. & McIntire, W. R., Jan 1 1979, In : The Journal of Chemical Physics. 71, 2, p. 991-996 6 p.

Research output: Contribution to journalArticle

8 Scopus citations

Theoretical Compton profile anisotropies in molecules and solids. V. Lithium and sodium bromide diatomics

Matcha, R. L., Pettitt, B. M., Ramirez, B. I. & McIntire, W. R., Jan 1 1979, In : The Journal of Chemical Physics. 70, 1, p. 558-564 7 p.

Research output: Contribution to journalArticle

7 Scopus citations
1980
3 Scopus citations

Theory of the chemical bond. V. Bond polarities of posttransition hydrides

Matcha, R. L., King, S. C. & Pettitt, B. M., Jan 1 1980, In : The Journal of Chemical Physics. 73, 8, p. 3944-3946 3 p.

Research output: Contribution to journalArticle

3 Scopus citations
1982

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

Integral equation predictions of liquid state structure for waterlike intermolecular potentials

Pettitt, B. M. & Rossky, P. J., Jan 1 1982, In : The Journal of Chemical Physics. 77, 3, p. 1451-1457 7 p.

Research output: Contribution to journalArticle

251 Scopus citations

The contribution of hydrogen bonding to the structure of liquid methanol

Pettitt, B. M. & Rossky, P. J., Dec 1 1982, In : The Journal of Chemical Physics. 78, 12, p. 7296-7299 4 p.

Research output: Contribution to journalArticle

53 Scopus citations
1983

The coupling of long and short range correlations in ISM liquids

Rossky, P. J., Pettitt, B. M. & Stell, G., Jan 1 1983, In : Molecular Physics. 50, 6, p. 1263-1271 9 p.

Research output: Contribution to journalArticle

61 Scopus citations

The interionic potential of mean force in a molecular polar solvent from an extended RISM equation

Hirata, F., Rossky, P. J. & Montgomery Pettitt, B., Jan 1 1983, In : The Journal of Chemical Physics. 78, 6, p. 4133-4144 12 p.

Research output: Contribution to journalArticle

248 Scopus citations

Theoretical Compton profile anisotropies in molecules and solids. IX. Chemical bonding and 0-90 anisotropies in the first-row diatomic hydrides AH

Pettitt, B. M., Matcha, R. L. & Ramirez, B. I., Jan 1 1983, In : The Journal of Chemical Physics. 79, 6, p. 2913-2917 5 p.

Research output: Contribution to journalArticle

11 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
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
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
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
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
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
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
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