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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1997

Experiment vs force fields: DNA conformation from molecular dynamics simulations

Feig, M. & Pettitt, B. M., Sep 18 1997, In : Journal of Physical Chemistry B. 101, 38, p. X-7363

Research output: Contribution to journalArticle

12 Scopus citations

Experiment vs force fields: DNA conformation from molecular dynamics simulations

Feig, M. & Pettitt, B. M., Jan 1 1997, In : Journal of Physical Chemistry B. 101, 38, p. 7361-7363 3 p.

Research output: Contribution to journalArticle

59 Scopus citations

Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches

Lynch, G. C. & Pettitt, B. M., Nov 22 1997, In : Journal of Chemical Physics. 107, 20, p. 8594-8610 17 p.

Research output: Contribution to journalArticle

56 Scopus citations

Modeling the DNA-solvent interface

Rudnicki, W. R. & Pettitt, B. M., Dec 1 1997, In : Biopolymers. 41, 1, p. 107-119 13 p.

Research output: Contribution to journalArticle

27 Scopus citations

Numerical considerations in the computation of the electrostatic free energy of interaction within the Poisson-Boltzmann theory

Micu, A. M., Bagheri, B., Ilin, A. V., Scott, R. L. & Pettitt, M. B., Sep 15 1997, In : Journal of Computational Physics. 136, 2, p. 263-271 9 p.

Research output: Contribution to journalArticle

14 Scopus citations

On the presence of rotational Ewald artifacts in the equilibrium and dynamical properties of a zwitterionic tetrapeptide in aqueous solution

Smith, P. E., Blatt, H. D. & Pettitt, B. M., May 8 1997, In : Journal of Physical Chemistry B. 101, 19, p. 3886-3890 5 p.

Research output: Contribution to journalArticle

39 Scopus citations

Protonation effects on the equilibrium and dynamical properties of the alanine tetrapeptide

Blatt, H. D., Smith, P. E. & Pettitt, B. M., Sep 18 1997, In : Journal of Physical Chemistry B. 101, 38, p. 7628-7634 7 p.

Research output: Contribution to journalArticle

11 Scopus citations
1996

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

Dependence of hydration free energy on solute size

Perkyns, J. & Montgomery Pettitt, B., Jan 1 1996, In : Journal of physical chemistry. 100, 4, p. 1323-1329 7 p.

Research output: Contribution to journalArticle

32 Scopus citations

Ewald artifacts in liquid state molecular dynamics simulations

Smith, P. E. & Montgomery Pettitt, B., Jan 1 1996, In : Journal of Chemical Physics. 105, 10, p. 4289-4293 5 p.

Research output: Contribution to journalArticle

83 Scopus citations

Salt effects on peptide conformers: A dielectric study of tuftsin

Yang, L., Valdeavella, C. V., Blatt, H. D. & Pettitt, B. M., Dec 1996, In : Biophysical Journal. 71, 6, p. 3022-3029 8 p.

Research output: Contribution to journalArticle

Open Access
9 Scopus citations

Salting in peptides: Conformationally dependent solubilities and phase behavior of a tripeptide zwitterion in electrolyte solution

Perkyns, J. S., Wang, Y. & Pettitt, B. M., Jan 1 1996, In : Journal of the American Chemical Society. 118, 5, p. 1164-1172 9 p.

Research output: Contribution to journalArticle

28 Scopus citations
1995

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

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

Conformational Effects of Substituting Methionine with (2S,3S)-2,3-Methanomethionine in Phe-Met-Arg-Phe-NH2

Burgess, K., Ho, K. K. & Pettitt, B. M., Jan 1995, In : Journal of the American Chemical Society. 117, 1, p. 54-65 12 p.

Research output: Contribution to journalArticle

71 Scopus citations

Conformational states governing the rates of spontaneous transition mutations

Mitra, R., Pettitt, B. M. & Blake, R. D., Aug 1995, In : Biopolymers. 36, 2, p. 169-179 11 p.

Research output: Contribution to journalArticle

5 Scopus citations

Dielectric response of triplex DNA in ionic solution from simulations

Yang, L., Weerasinghe, S., Smith, P. E. & Pettitt, B. M., Jan 1 1995, In : Biophysical Journal. 69, 4, p. 1519-1527 9 p.

Research output: Contribution to journalArticle

Open Access
71 Scopus citations

Efficient Ewald electrostatic calculations for large systems

Smith, P. E. & Pettitt, B. M., Sep 2 1995, In : Computer Physics Communications. 91, 1-3, p. 339-344 6 p.

Research output: Contribution to journalArticle

25 Scopus citations

Nanosecond Dynamics and Structure of a Model DNA Triple Helix in Saltwater Solution

Weerasinghe, S., Smith, P. E., Mohan, V., Cheng, Y. K. & Pettitt, B. M., Jan 1 1995, In : Journal of the American Chemical Society. 117, 8, p. 2147-2158 12 p.

Research output: Contribution to journalArticle

87 Scopus citations

Non-isotropic solution of an OZ equation: matrix methods for integral equations

Chen, Z. M. & Pettitt, B. M., Feb 1995, In : Computer Physics Communications. 85, 2, p. 239-250 12 p.

Research output: Contribution to journalArticle

3 Scopus citations

Peptide conformations are restricted by solution stability

Perkyns, J. S. & Montgomery Pettitt, B., Jan 1 1995, In : Journal of Physical Chemistry®. 99, 1, p. 1-2 2 p.

Research output: Contribution to journalArticle

6 Scopus citations

Simulations of conformers of tuftsin and a cyclic tuftsin analog

VALDEAVELLA, C. V., BLATT, H. D. & PETTITT, B. MONTGOMERY., Nov 1995, In : International Journal of Peptide and Protein Research. 46, 5, p. 372-380 9 p.

Research output: Contribution to journalArticle

13 Scopus citations

Solvent effects on model d(CG·G)7 and d(TA·T)7 DNA triple helices

Cheng, YK. K. & Pettitt, B. M., May 1995, In : Biopolymers. 35, 5, p. 457-473 17 p.

Research output: Contribution to journalArticle

15 Scopus citations

Structure and Stability of a Model Pyrimidine-Purine-Purine DNA Triple Helix with a GC.T Mismatch by Simulation

Weerasinghe, S., Smith, P. E. & Pettitt, B. M., Dec 1995, In : Biochemistry. 34, 50, p. 16269-16278 10 p.

Research output: Contribution to journalArticle

28 Scopus citations
1994
105 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

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
79 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

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

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

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