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

1999

Hydration effects on the electrostatic potential around tuftsin

Valdeavella, C. V., Blatt, H. D., Yang, L. & Pettitt, B. M., Jul 1 1999, In : Biopolymers. 50, 2, p. 133-143 11 p.

Research output: Contribution to journalArticle

1 Scopus citations

Kirkwood-Buff Thermodynamics Derived from Grand Canonical Molecular Dynamics and DRISM Calculations

Lynch, G. C., Perkyns, J. S. & Pettitt, B. M., May 1 1999, In : Journal of Computational Physics. 151, 1, p. 135-145 11 p.

Research output: Contribution to journalArticle

12 Scopus citations

Large scale distributed data repository: Design of a molecular dynamics trajectory database

Feig, M., Abdullah, M., Johnsson, L. & Pettitt, B. M., Nov 1999, In : Future Generation Computer Systems. 16, 1, p. 101-110 10 p.

Research output: Contribution to journalArticle

15 Scopus citations

Modeling high-resolution hydration patterns in correlation with DNA sequence and conformation

Feig, M. & Pettitt, B. M., Mar 5 1999, In : Journal of Molecular Biology. 286, 4, p. 1075-1095 21 p.

Research output: Contribution to journalArticle

102 Scopus citations

Modeling of α-MSH conformations with implicit solvent

Prabhu, N. V., Perkyns, J. S. & Pettitt, B. M., Nov 4 1999, In : Journal of Peptide Research. 54, 5, p. 394-407 14 p.

Research output: Contribution to journalArticle

24 Scopus citations

Sodium and chlorine ions as part of the DNA solvation shell

Feig, M. & Pettitt, B. M., Oct 1999, In : Biophysical journal. 77, 4, p. 1769-1781 13 p.

Research output: Contribution to journalArticle

Open Access
181 Scopus citations

Structure and dynamics of α-MSH using DRISM integral equation theory and stochastic dynamics

Prabhu, N. V., Perkyns, J. S., Pettitt, B. M. & Hruby, V. J., Sep 1 1999, In : Biopolymers. 50, 3, p. 255-272 18 p.

Research output: Contribution to journalArticle

17 Scopus citations
1998

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

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

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

Crystallographic water sites from a theoretical perspective

Feig, M. & Pettitt, B. M., Nov 15 1998, In : Structure. 6, 11, p. 1351-1354 4 p.

Research output: Contribution to journalArticle

Open Access
32 Scopus citations

Diffusion of solvent around biomolecular solutes: A molecular dynamics simulation study

Makarov, V. A., Feig, M., Andrews, B. K. & Pettitt, B. M., Jul 1998, In : Biophysical Journal. 75, 1, p. 150-158 9 p.

Research output: Contribution to journalArticle

Open Access
134 Scopus citations

NMR and quenched molecular dynamics studies of superpotent linear and cyclic α-melanotropins

Al-Obeidi, F., O'Connor, S. D., Job, C., Hruby, V. J. & Pettitt, B. M., Jun 8 1998, In : Journal of Peptide Research. 51, 6, p. 420-431 12 p.

Research output: Contribution to journalArticle

37 Scopus citations

Protein hydration density: Theory, simulations and crystallography

Pettitt, B. M., Makarov, V. A. & Andrews, B. K., Apr 1998, In : Current Opinion in Structural Biology. 8, 2, p. 218-221 4 p.

Research output: Contribution to journalArticle

50 Scopus citations

Reconstructing the protein-water interface

Makarov, V. A., Andrews, B. K. & Pettitt, B. M., Dec 1 1998, In : Biopolymers. 45, 7, p. 469-478 10 p.

Research output: Contribution to journalArticle

59 Scopus citations

Structural equilibrium of DNA represented with different force fields

Feig, M. & Pettitt, B. M., Jul 1998, In : Biophysical Journal. 75, 1, p. 134-149 16 p.

Research output: Contribution to journalArticle

Open Access
116 Scopus citations
1997

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

Computationally useful bridge diagram series for the structure and thermodynamics of Lennard-Jones fluids

Perkyns, J. & Pettitt, B. M., Apr 1997, In : Theoretical Chemistry Accounts. 96, 1, p. 61-70 10 p.

Research output: Contribution to journalArticle

15 Scopus citations

Environmentally dependent conformational preferences of peptides

Smith, P. E., Blatt, H. D. & Pettitt, B. M., Oct 7 1997, In : Journal of the American Chemical Society. 119, 37, p. 8714-8715 2 p.

Research output: Contribution to journalArticle

1 Scopus citations

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

Tuftsin and tuftsin analogs: Biology, synthesis and design theory

Nishioka, K., McMurray, J., Al Obeidi, F. & Pettitt, B. M., Jan 1 1996, In : Current Medicinal Chemistry. 3, 3, p. 153-166 14 p.

Research output: Contribution to journalReview article

4 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

Preface

Pettitt, B. M. & Smith, J. C., Sep 2 1995, In : Computer Physics Communications. 91, 1-3, 1 p.

Research output: Contribution to journalEditorial

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 dynamics of the water around myoglobin

Phillips, G. N. & Montgomery Pettitt, B., Feb 1995, In : Protein Science. 4, 2, p. 149-158 10 p.

Research output: Contribution to journalReview article

82 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

The scaling of molecular dynamics on the KSR1

Haacke, R. & Pettitt, B., Jan 1 1995, Proceedings of the 28th Annual Hawaii International Conference on System Sciences, HICSS 1995. IEEE Computer Society, p. 142-152 11 p. 375342. (Proceedings of the Annual Hawaii International Conference on System Sciences; vol. 5).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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