Find Research Outputs

Search in all content

Filters for Publications

Search concepts
Selected Filters

Publication Year

  • 2020
  • 2019
  • 2018
  • 2017
  • 2015
  • 2014
  • 2013
  • 2012
  • 2011

Author

  • Bernard Pettitt
2018

Visualizing Individual RuBisCO and Its Assembly into Carboxysomes in Marine Cyanobacteria by Cryo-Electron Tomography

Dai, W., Chen, M., Myers, C., Ludtke, S. J., Pettitt, B. M., King, J. A., Schmid, M. F. & Chiu, W., Oct 19 2018, In : Journal of Molecular Biology. 430, 21, p. 4156-4167 12 p.

Research output: Contribution to journalArticle

6 Scopus citations
2012

Studying proteins and peptides at material surfaces

Feng, J., Lynch, G. C. & Pettitt, B. M., 2012, RSC Biomolecular Sciences. Royal Society of Chemistry, p. 293-320 28 p. (RSC Biomolecular Sciences; vol. 1).

Research output: Chapter in Book/Report/Conference proceedingChapter

2017

Optimal updating magnitude in adaptive flat-distribution sampling

Zhang, C., Drake, J. A., Ma, J. & Pettitt, B., Nov 7 2017, In : Journal of Chemical Physics. 147, 17, 174105.

Research output: Contribution to journalArticle

2020

Physical Chemistry of the Protein Backbone: Enabling the Mechanisms of Intrinsic Protein Disorder

Drake, J. A., Drake, J. A. & Pettitt, B. M., Jun 4 2020, In : Journal of Physical Chemistry B. 124, 22, p. 4379-4390 12 p.

Research output: Contribution to journalArticle

2018

Peptide Solubility Limits: Backbone and Side-Chain Interactions

Sarma, R., Wong, K. Y., Lynch, G. C. & Pettitt, B. M., Apr 5 2018, In : Journal of Physical Chemistry B. 122, 13, p. 3528-3539 12 p.

Research output: Contribution to journalArticle

1 Scopus citations
2011

Accurate prediction of binding thermodynamics for DNA on surfaces

Vainrub, A. & Pettitt, B. M., Nov 17 2011, In : Journal of Physical Chemistry B. 115, 45, p. 13300-13303 4 p.

Research output: Contribution to journalArticle

20 Scopus citations
2019
2011

The binding process of a nonspecific enzyme with DNA

Chen, C. & Pettitt, B. M., Sep 7 2011, In : Biophysical Journal. 101, 5, p. 1139-1147 9 p.

Research output: Contribution to journalArticle

22 Scopus citations
2020

Interactions between identical DNA double helices

Lai, C. L., Chen, C., Ou, S. C., Prentiss, M. & Pettitt, B. M., Mar 2020, In : Physical Review E. 101, 3, 032414.

Research output: Contribution to journalArticle

1 Scopus citations
2013

Physico-chemical foundations underpinning microarray and next-generation sequencing experiments

Harrison, A., Binder, H., Buhot, A., Burden, C. J., Carlon, E., Gibas, C., Gamble, L. J., Halperin, A., Hooyberghs, J., Kreil, D. P., Levicky, R., Noble, P. A., Ott, A., Pettitt, B. M., Tautz, D. & Pozhitkov, A. E., Mar 2013, In : Nucleic acids research. 41, 5, p. 2779-2796 18 p.

Research output: Contribution to journalReview article

43 Scopus citations
2014

A cavity corrected 3D-RISM functional for accurate solvation free energies

Truchon, J. F., Pettitt, B. M. & Labute, P., Mar 11 2014, In : Journal of Chemical Theory and Computation. 10, 3, p. 934-941 8 p.

Research output: Contribution to journalArticle

85 Scopus citations

Computation of high-order virial coefficients in high-dimensional hard-sphere fluids by Mayer sampling

Zhang, C. & Pettitt, B. M., May 19 2014, In : Molecular Physics. 112, 9-10, p. 1427-1447 21 p.

Research output: Contribution to journalArticle

20 Scopus citations
2019
2015

Solvation and cavity occupation in biomolecules

Lynch, G. C., Perkyns, J. S., Nguyen, B. L. & Pettitt, B. M., May 2015, In : Biochimica et Biophysica Acta - General Subjects. 1850, 5, p. 923-931 9 p.

Research output: Contribution to journalArticle

4 Scopus citations
2019

Allosteric discrimination at the NADH/ADP regulatory site of glutamate dehydrogenase

Nassar, O. M., Wong, K. Y., Lynch, G. C., Smith, T. J. & Pettitt, B. M., Dec 1 2019, In : Protein Science. 28, 12, p. 2080-2088 9 p.

Research output: Contribution to journalArticle

2011

Free energy considerations for nucleic acids with dangling ends near a surface: Acoarse grained approach

Ambia-Garrido, J., Vainrub, A. & Montgomery Pettitt, B., Aug 17 2011, In : Journal of Physics Condensed Matter. 23, 32, 325101.

Research output: Contribution to journalArticle

5 Scopus citations
2015

Systematic identification of single amino acid variants in glioma stem-cell-derived chromosome 19 proteins

Lichti, C. F., Mostovenko, E., Wadsworth, P. A., Lynch, G. C., Pettitt, B. M., Sulman, E. P., Wang, Q., Lang, F. F., Rezeli, M., Marko-Varga, G., Végvári, Á. & Nilsson, C. L., Feb 6 2015, In : Journal of Proteome Research. 14, 2, p. 778-786 9 p.

Research output: Contribution to journalArticle

16 Scopus citations

Force field-dependent solution properties of glycine oligomers

Drake, J. A. & Pettitt, B. M., Jun 1 2015, In : Journal of Computational Chemistry. 36, 17, p. 1275-1285 11 p.

Research output: Contribution to journalArticle

20 Scopus citations

Twist-induced defects of the P-SSP7 genome revealed by modeling the cryo-EM density

Wang, Q., Myers, C. G. & Pettitt, B. M., Apr 16 2015, In : Journal of Physical Chemistry B. 119, 15, p. 4937-4943 7 p.

Research output: Contribution to journalArticle

4 Scopus citations
2014

Solubility and aggregation of Gly5 in water

Karandur, D., Wong, K. Y. & Pettitt, B. M., Aug 14 2014, In : Journal of Physical Chemistry B. 118, 32, p. 9565-9572 8 p.

Research output: Contribution to journalArticle

21 Scopus citations
2017

Nonpolar Solvation Free Energy from Proximal Distribution Functions

Ou, S. C., Drake, J. A. & Pettitt, B. M., Apr 20 2017, In : Journal of Physical Chemistry B. 121, 15, p. 3555-3564 10 p.

Research output: Contribution to journalArticle

4 Scopus citations
2015

Examining the Assumptions Underlying Continuum-Solvent Models

Harris, R. C. & Pettitt, B., Sep 1 2015, In : Journal of Chemical Theory and Computation. 11, 10, p. 4593-4600 8 p.

Research output: Contribution to journalArticle

14 Scopus citations
2014

Conditional solvation thermodynamics of isoleucine in model peptides and the limitations of the group-transfer model

Tomar, D. S., Weber, V., Pettitt, B. M. & Asthagiri, D., Apr 17 2014, In : Journal of Physical Chemistry B. 118, 15, p. 4080-4087 8 p.

Research output: Contribution to journalArticle

9 Scopus citations
2011
25 Scopus citations
2015

Computation of virial coefficients from integral equations

Zhang, C., Lai, C. L. & Pettitt, B., Jun 5 2015, In : Journal of Chemical Physics. 142, 21, 214110.

Research output: Contribution to journalArticle

2 Scopus citations
2 Scopus citations
2014

Multibody correlations in the hydrophobic solvation of glycine peptides

Harris, R. C., Drake, J. A. & Pettitt, B. M., Dec 14 2014, In : Journal of Chemical Physics. 141, 22, 22D525.

Research output: Contribution to journalArticle

11 Scopus citations
2017

Norovirus escape from broadly neutralizing antibodies is limited to allostery-like mechanisms

Kolawole, A. O., Smith, H. Q., Svoboda, S. A., Lewis, M. S., Sherman, M. B., Lynch, G. C., Pettitt, B. M., Smith, T. J. & Wobus, C. E., Sep 1 2017, In : mSphere. 2, 5, e00334-17.

Research output: Contribution to journalArticle

16 Scopus citations
2019

Price of disorder in the lac repressor hinge helix

Seckfort, D. & Montgomery Pettitt, B., Jan 2019, In : Biopolymers. 110, 1, e23239.

Research output: Contribution to journalArticle

1 Scopus citations
2015

Controlling microarray DNA hybridization efficiency by probe-surface distance and external surface electrostatics

Qamhieh, K. & Pettitt, B., Mar 30 2015, 4th International Congress in Advances in Applied Physics and Materials Science, APMAS 2014. American Institute of Physics Inc., Vol. 1653. 020090

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

1 Scopus citations
2013

The unsolved "solved-problem" of protein folding

Montgomery Pettitt, B., Sep 1 2013, In : Journal of Biomolecular Structure and Dynamics. 31, 9, p. 1024-1027 4 p.

Research output: Contribution to journalComment/debate

10 Scopus citations
2018

Thermodynamics of Conformational Transitions in a Disordered Protein Backbone Model

Drake, J. A. & Pettitt, B. M., Jun 19 2018, In : Biophysical journal. 114, 12, p. 2799-2810 12 p.

Research output: Contribution to journalArticle

5 Scopus citations
2011

Note: On the universality of proximal radial distribution functions of proteins

Lin, B. & Pettitt, B. M., Mar 14 2011, In : Journal of Chemical Physics. 134, 10, 106101.

Research output: Contribution to journalArticle

15 Scopus citations
2015

Dynamic equilibria of short-range electrostatic interactions at molecular interfaces of protein-DNA complexes

Chen, C., Esadze, A., Zandarashvili, L., Nguyen, D., Pettitt, B. & Iwahara, J., Jul 16 2015, In : Journal of Physical Chemistry Letters. 6, 14, p. 2733-2737 5 p.

Research output: Contribution to journalArticle

29 Scopus citations
2014

Modeling DNA thermodynamics under torsional stress

Wang, Q. & Pettitt, B. M., Mar 4 2014, In : Biophysical journal. 106, 5, p. 1182-1193 12 p.

Research output: Contribution to journalArticle

7 Scopus citations
2018
3 Scopus citations
2019

Mobility of Histidine Side Chains Analyzed with 15 N NMR Relaxation and Cross-Correlation Data: Insight into Zinc-Finger-DNA Interactions

Kemme, C. A., Luu, R. H., Chen, C., Pletka, C. C., Pettitt, B. M. & Iwahara, J., May 2 2019, In : Journal of Physical Chemistry B. 123, 17, p. 3706-3710 5 p.

Research output: Contribution to journalArticle

2015

Solubility Limits in Lennard-Jones Mixtures: Effects of Disparate Molecule Geometries

Dyer, K. M., Perkyns, J. S. & Pettitt, B., Jul 23 2015, In : Journal of Physical Chemistry B. 119, 29, p. 9450-9459 10 p.

Research output: Contribution to journalArticle

1 Scopus citations
2019

Free Energy Calculations Based on Coupling Proximal Distribution Functions and Thermodynamic Cycles

Ou, S. C. & Pettitt, B. M., Apr 9 2019, In : Journal of Chemical Theory and Computation. 15, 4, p. 2649-2658 10 p.

Research output: Contribution to journalArticle

1 Scopus citations
3 Scopus citations
2013

Proximal distributions from angular correlations: A measure of the onset of coarse-graining

Dyer, K. M. & Pettitt, B. M., Dec 7 2013, In : Journal of Chemical Physics. 139, 21, 214111.

Research output: Contribution to journalArticle

3 Scopus citations

Solvation free energies of alanine peptides: The effect of flexibility

Kokubo, H., Harris, R. C., Asthagiri, D. & Pettitt, B. M., Dec 27 2013, In : Journal of Physical Chemistry B. 117, 51, p. 16428-16435 8 p.

Research output: Contribution to journalArticle

21 Scopus citations
2015

Effects of acids, bases, and heteroatoms on proximal radial distribution functions for proteins

Nguyen, B. L. & Pettitt, B. M., Apr 14 2015, In : Journal of Chemical Theory and Computation. 11, 4, p. 1399-1409 11 p.

Research output: Contribution to journalArticle

8 Scopus citations
2013

Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence

Theruvathu, J. A., Yin, Y. W., Pettitt, B. M. & Sowers, L. C., Nov 26 2013, In : Biochemistry. 52, 47, p. 8590-8598 9 p.

Research output: Contribution to journalArticle

7 Scopus citations
2017

Phage-like packing structures with mean field sequence dependence

Myers, C. G. & Pettitt, B. M., Jun 5 2017, In : Journal of Computational Chemistry. 38, 15, p. 1191-1197 7 p.

Research output: Contribution to journalArticle

6 Scopus citations
2011

Ion and solvent density distributions around canonical B-DNA from integral equations

Howard, J. J., Lynch, G. C. & Pettitt, B. M., Jan 27 2011, In : Journal of Physical Chemistry B. 115, 3, p. 547-556 10 p.

Research output: Contribution to journalArticle

30 Scopus citations
2017

Influence of DNA sequence on the structure of minicircles under torsional stress

Wang, Q., Irobalieva, R. N., Chiu, W., Schmid, M. F., Fogg, J. M., Zechiedrich, L. & Pettitt, B. M., Jul 1 2017, In : Nucleic acids research. 45, 13, p. 7633-7642 10 p.

Research output: Contribution to journalArticle

10 Scopus citations
2020

Structure and the role of filling rate on model dsDNA packed in a phage capsid

Bores, C. & Pettitt, B. M., Jan 13 2020, In : Physical Review E. 101, 1, 012406.

Research output: Contribution to journalArticle

2012

Bullied no more: When and how DNA shoves proteins around

Fogg, J. M., Randall, G. L., Pettitt, B. M., Sumners, D. W. L., Harris, S. A. & Zechiedrich, L., Aug 1 2012, In : Quarterly Reviews of Biophysics. 45, 3, p. 257-299 43 p.

Research output: Contribution to journalReview article

39 Scopus citations