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Contents list for Physical Chemistry Chemical Physics, issue 12, 2009
Front cover
Phys. Chem. Chem. Phys., 2009, 11, 1853
DOI: 10.1039/b903987m
Inside front cover
Phys. Chem. Chem. Phys., 2009, 11, 1854
DOI: 10.1039/b903988k
Contents
Phys. Chem. Chem. Phys., 2009, 11, 1855
DOI: 10.1039/b903989a
Editorial
Coarse-grained modeling of soft condensed matter
Phys. Chem. Chem. Phys., 2009, 11, 1867
DOI: 10.1039/b903299c
Perspective
Multiscale modeling of emergent materials: biological and soft matter
Teemu Murtola, Alex Bunker, Ilpo Vattulainen, Markus Deserno and Mikko Karttunen,
Phys. Chem. Chem. Phys., 2009, 11, 1869
DOI: 10.1039/b818051b
Communication
Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases
Martin A. Bates and Martin Walker,
Phys. Chem. Chem. Phys., 2009, 11, 1893
DOI: 10.1039/b818926a
Papers
Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy
Aviel Chaimovich and M. Scott Shell,
Phys. Chem. Chem. Phys., 2009, 11, 1901
DOI: 10.1039/b818512c
Molecular dynamics study of the effect of cholesterol on the properties of lipid monolayers at low surface tensions
Cameron Laing, Svetlana Baoukina and D. Peter Tieleman,
Phys. Chem. Chem. Phys., 2009, 11, 1916
DOI: 10.1039/b819767a
Coarse-graining dipolar interactions in simple fluids and polymer solutions: Monte Carlo studies of the phase behavior
B. M. Mognetti, P. Virnau, L. Yelash, W. Paul, K. Binder, M. Müller and L. G. MacDowell,
Phys. Chem. Chem. Phys., 2009, 11, 1923
DOI: 10.1039/b818020m
On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models
Moritz Winger, Daniel Trzesniak, Riccardo Baron and Wilfred F. van Gunsteren,
Phys. Chem. Chem. Phys., 2009, 11, 1934
DOI: 10.1039/b818713d
A coarse-graining procedure for polymer melts applied to 1,4-polybutadiene
T. Strauch, L. Yelash and W. Paul,
Phys. Chem. Chem. Phys., 2009, 11, 1942
DOI: 10.1039/b818271j
Determination of pair-wise inter-residue interaction forces from folding pathways and their implementation in coarse-grained folding prediction
Sefer Baday, Burak Erman and Yaman Arkun,
Phys. Chem. Chem. Phys., 2009, 11, 1949
DOI: 10.1039/b820801h
Effective control of the transport coefficients of a coarse-grained liquid and polymer models using the dissipative particle dynamics and Lowe–Andersen equations of motion
Hu-Jun Qian, Chee Chin Liew and Florian Müller-Plathe,
Phys. Chem. Chem. Phys., 2009, 11, 1962
DOI: 10.1039/b817584e
Simulations of rigid bodies in an angle-axis framework
Dwaipayan Chakrabarti and David J. Wales,
Phys. Chem. Chem. Phys., 2009, 11, 1970
DOI: 10.1039/b818054g
Backmapping coarse-grained polymer models under sheared nonequilibrium conditions
Xiaoyu Chen, Paola Carbone, Giuseppe Santangelo, Andrea Di Matteo, Giuseppe Milano and Florian Müller-Plathe,
Phys. Chem. Chem. Phys., 2009, 11, 1977
DOI: 10.1039/b817895j
Adsorption of peptides (A3, Flg, Pd2, Pd4) on gold and palladium surfaces by a coarse-grained Monte Carlo simulation
R. B. Pandey, Hendrik Heinz, Jie Feng, Barry L. Farmer, Joseph M. Slocik, Lawrence F. Drummy and Rajesh R. Naik,
Phys. Chem. Chem. Phys., 2009, 11, 1989
DOI: 10.1039/b816187a
Effective force coarse-graining
Yanting Wang, W. G. Noid, Pu Liu and Gregory A. Voth,
Phys. Chem. Chem. Phys., 2009, 11, 2002
DOI: 10.1039/b819182d
Beyond amphiphiles: coarse-grained simulations of star-polyphile liquid crystalline assemblies
Jacob Judas Kain Kirkensgaard and Stephen Hyde,
Phys. Chem. Chem. Phys., 2009, 11, 2016
DOI: 10.1039/b818032f
Salt exclusion in charged porous media: a coarse-graining strategy in the case of montmorillonite clays
Marie Jardat, Jean-François Dufrêche, Virginie Marry, Benjamin Rotenberg and Pierre Turq,
Phys. Chem. Chem. Phys., 2009, 11, 2023
DOI: 10.1039/b818055e
The influence of polymer architecture on the assembly of poly(ethylene oxide) grafted C60 fullerene clusters in aqueous solution: a molecular dynamics simulation study
Justin B. Hooper, Dmitry Bedrov and Grant D. Smith,
Phys. Chem. Chem. Phys., 2009, 11, 2034
DOI: 10.1039/b818971d
Improved simulations of lattice peptide adsorption
Adam D. Swetnam and Michael P. Allen,
Phys. Chem. Chem. Phys., 2009, 11, 2046
DOI: 10.1039/b818067a
Curvature effects on lipid packing and dynamics in liposomes revealed by coarse grained molecular dynamics simulations
H. Jelger Risselada and Siewert J. Marrink,
Phys. Chem. Chem. Phys., 2009, 11, 2056
DOI: 10.1039/b818782g
Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model
Alessandra Villa, Nico F. A. van der Vegt and Christine Peter,
Phys. Chem. Chem. Phys., 2009, 11, 2068
DOI: 10.1039/b818146m
Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation
Alessandra Villa, Christine Peter and Nico F. A. van der Vegt,
Phys. Chem. Chem. Phys., 2009, 11, 2077
DOI: 10.1039/b818144f
Computing free energies of interfaces in self-assembling systems
Marcus Müller, Kostas Ch. Daoulas and Yuki Norizoe,
Phys. Chem. Chem. Phys., 2009, 11, 2087
DOI: 10.1039/b818111j
Energy landscapes for shells assembled from pentagonal and hexagonal pyramids
Szilard N. Fejer, Tim R. James, Javier Hernández-Rojas and David J. Wales,
Phys. Chem. Chem. Phys., 2009, 11, 2098
DOI: 10.1039/b818062h
Molecular structure and phase behaviour of hairy-rod polymers
David L. Cheung and Alessandro Troisi,
Phys. Chem. Chem. Phys., 2009, 11, 2105
DOI: 10.1039/b818428c
Anomalous ductility in thermoset/thermoplastic polymer alloys
Debashish Mukherji and Cameron F. Abrams,
Phys. Chem. Chem. Phys., 2009, 11, 2113
DOI: 10.1039/b818039c
A coarse-grained simulation study of mesophase formation in a series of rod–coil multiblock copolymers
Juho S. Lintuvuori and Mark R. Wilson,
Phys. Chem. Chem. Phys., 2009, 11, 2116
DOI: 10.1039/b818616b
Back matter
Phys. Chem. Chem. Phys., 2009, 11, 2126
DOI: 10.1039/b903990m
Back cover
Phys. Chem. Chem. Phys., 2009, 11, 2127
DOI: 10.1039/b903991k
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