B M Pettitt
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Explore the profile of B M Pettitt including associated specialties, affiliations and a list of published articles.
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52
Citations
781
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Recent Articles
1.
Karandur D, Pettitt B
Condens Matter Phys
. 2017 Sep;
19(2).
PMID: 28943833
Protein solubility and conformational stability are a result of a balance of interactions both within a protein and between protein and solvent. The electrostatic solvation free energy of oligoglycines, models...
2.
Chumakov S, Belapurkar C, Putonti C, Li T, Pettitt B, Fox G, et al.
J Biol Phys Chem
. 2010 Apr;
5(4):121-128.
PMID: 20428334
It is shown that the presence/absence pattern of 1000 random oligomers of length 12-13 in a bacterial genome is sufficiently characteristic to readily and unambiguously distinguish any known bacterial genome...
3.
Kurzak J, Pettitt B
Mol Simul
. 2009 Feb;
32(10-11):775-790.
PMID: 19194526
The growth of simulations of particle systems has been aided by advances in computer speed and algorithms. The adoption of O(N) algorithms to solve N-body simulation problems has been less...
4.
Dyer K, Pettitt B, Stell G
J Chem Phys
. 2007 Jan;
126(3):034502.
PMID: 17249879
Three kinetic theories of transport are investigated for the single-species Lennard-Jones model fluid. Transport coefficients, including diffusion, shear, and bulk viscosity, are calculated from these theories for the Lennard-Jones fluid...
5.
Dyer K, Perkyns J, Pettitt B
J Chem Phys
. 2005 Jul;
122(23):236101.
PMID: 16008496
Two elementary models of reactive fluids are examined, the first being a standard construction assuming molecular dissociation at infinite separation; the second is an open mixture of nondissociative molecules and...
6.
Marlow G, Pettitt B
Biopolymers
. 2001 Jul;
60(2):134-52.
PMID: 11455547
A simulation study of DPDPE in sodium chloride solution has been performed and compared with previous simulations using a different interaction potential for the ions. Both global thermodynamics as well...
7.
Feig M, Zacharias M, Pettitt B
Biophys J
. 2001 Jun;
81(1):352-70.
PMID: 11423420
Molecular dynamics simulations have been applied to the DNA octamer d(GCGCA-GAAC). d(GTTCGCGC), which has an adenine bulge at the center to determine the pathway for interconversion between the stacked and...
8.
Prabhu N, Siddiqui S, McMurray J, Pettitt B
Biopolymers
. 2001 Jun;
59(3):167-79.
PMID: 11391566
Conformational searches on three closely related pp60(c-src) protein tyrosine kinase inhibitors of varying potencies were performed to determine a structural basis for their activity. The first was a linear peptide...
9.
Makarov V, Andrews B, Smith P, Pettitt B
Biophys J
. 2000 Dec;
79(6):2966-74.
PMID: 11106604
Hydration sites are high-density regions in the three-dimensional time-averaged solvent structure in molecular dynamics simulations and diffraction experiments. In a simulation of sperm whale myoglobin, we found 294 such high-density...
10.
Feig M, Pettitt B
Biopolymers
. 2000 Mar;
48(4):199-209.
PMID: 10699840
Recent results from molecular dynamics (MD) simulations on hydration of DNA with respect to conformation are reviewed and compared with experimental data. MD simulations of explicit solvent around DNA can...