Gallery
Cover of Proteins:
Cover of Proteins: Struct. Funct. Bioinfo., Vol. 62, Iss. 4, Mar 1, 2006; by C. Chen et al.
Cover of J. Phys.:
Condens. Matter, Vol. 18, Iss. 14, Apr 12, 2006; by G. L. Randall et al.
J. Phys.:
Condens. Matter, Vol. 18, Iss. 14, Apr 12, 2006; by G. L. Randall et al.
J. Phys Cover
Condens. Matter, Vol. 18, Iss. 14, Apr 12, 2006; by G. L. Randall et al.
Cover of Biopolymers,
Vol. 85, Iss. 3, Feb 15, 2007; by C. Chen et al.
Cover of J. Phys. Chem. B
Vol. 113, Iss. 2, Jan 15, 2009; by C. Chen et al.
Cover of J. Comput Chem.
Vol. 36, Iss. 17, 2015; by JA Drake et al.
Cover of Biopolymers 110(1), e23239 (2019)
Price of disorder in the lac repressor hinge helix. Seckfort D, Pettitt BM.
3D-rendering of DNA chip
K.-Y. Wong & B. M. Pettitt, Theor. Chem. Acc., 106, 233-235 (2001)
DNA chip image
rendered with POV-Ray by K.-Y. Wong.
N-ColE7-DNA binding energy landscape
C. Chen & B. M. Pettitt, Biophys. J, 101, 1139-1147 (2011).
Serratia marcescens endonuclease
rendered by B. W. Beck
The water is translucent
with ions (Na-purple, Cl-green) in full VDW rendering and the triplex DNA in licorice representation rendered by Chandler Wilkerson.
DNA chip image rendered
with POV-Ray by K.-Y. Wong
Hydration sites around myoglobin.
A. Vladimir et al. Biophys. J., 79, 2966-2974 (2000)
Hydrogen-bond residence times
in urea solutions. H. Kokubo & B. M. Pettitt. J. Phys. Chem. B, 111, 5233-5242 (2007)
Solvation of peptide
by water, TMAO, and urea. H. Kokubo et al. J. Am. Chem. Soc., 133, 1849-1858 (2011)
Charge densities
around AT basepair calculated from Integral Equation theory. J. J. Howard et al. J. Phys. Chem. B, 115, 547-556 (2011)
Water densities between
graphene plates from integral equations. J. J. Howard et al. J. Chem. Theory Comput., 4, 1928-1939 (2008)
Water densities around
DNA base-pairs by integral equations. J. J. Howard et al. J. Phys. Chem. B, 115, 547-556 (2011)
Water density around
a sodium ion near a wall by integral equations. J. J. Howard et al. J. Phys. Chem. B, 114, 6074-6083 (2010)
Conformations of peptide
tethered to a surface by molecular dynamic simulation. J. Feng et al. J. Phys. Chem. B, 111, 13797-13806 (2007)
MD Simulation
of ssDNA on the chip. K.-Y. Wong et al. Mol. Simul. 30, 121-129 (2004)
Pathway of DNA
melting by MD simuation. K.-Y. Wong & B. M. Pettitt. Biophys. J., 95, 5618-5626 (2008)
Metastable conformation
of DNA during melting by MD simuation. K.-Y. Wong & B. M. Pettitt. Biophys. J., 95, 5618-5626 (2008)
DNA duplex
tethered to a surface. K.-Y. Wong & B. M. Pettitt, Biopolymers, 73, 570-578 (2004)
N-ColE7-DNA
model complexes. C. Chen & B. M. Pettitt, Biophys. J, 101, 1139-1147 (2011)
Water density in
the proximity of SMnase-DNA complex. C. Chen et al. J. Phys. Chem. B, 113, 511-521 (2009)
Magnesium cluster
at the active site of SMnase. C. Chen et al. J. Phys. Chem. B, 113, 511-521 (2009)
Active site of
Trichomonas vaginalis ferredoxin. T. E. Weksberg et al. Biophys. J., 92, 3337-3345 (2007)
Electrostatic field
around DNA juxtaposition. G. L. Randall et al. J. Phys.: Condens. Matter. 18, S173-S185 (2006)
Counterion concentrations
around DNA juxtaposition. G. L. Randall et al. J. Phys.: Condens. Matter. 18, S173-S185 (2006)
Electrostatic solvation
free energies of five representative conformations of deca-alanine. B. Lin et al. J. Phys. Chem. Lett., 2, 1626-1632 (2011)
A coarse grained model
for the thermodynamics of nucleic acid hybridization near surface. J. Ambia-Garrido et al. J. Phys.: Condens. Matter, 23, 325101 (2011)
DNA torsional stress relief
as a funcion of winding (σ = -0.179) G. L. Randall et al. Nucl. Acids Res., 37, 5568-5577 (2009)
P22 Phage:
cryo-EM Vs. simulation. C. G. Myers & B .M. Pettitt. J. Chem. Phys., 138, 071103 (2013)
Phage P-SSP7:
Coarse-grained DNA models. Q. Wang, C. G. Myers & B .M. Pettitt. J Phys Chem B., 119(15), 4937-43 (2015)
Dihedral angle
free energy surfaces as a function of force field. Drake JA, Pettitt BM. J Comput Chem., 36(17), 1275-85 (2015)
Models for the capsid of phage phi29
Effects of Model Shape, Volume, and Softness of the Capsid for DNA Packaging of phi29. Bores C et al. J Phys Chem B. 24(46):10337-103441 (2020)
Liquid-liquid phase separation
Effects of Conformational Constraint on Peptide Solubility Limits. RJ et al. J Phys Chem B. 126(49), 10510-10518 (2022)
Assessment of the Electrostatic Potential of Proteins in Solution
Chen C et al. J Phys Chem B. 126(24), 4543-4554 (2022)
