| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations
|
Heidari, M.
|
|
2016
|
|
8-9 |
p. 1505-1526
|
article
|
| 2 |
Adaptive resolution simulation of an atomistic DNA molecule in MARTINI salt solution
|
Zavadlav, J.
|
|
2016
|
|
8-9 |
p. 1595-1607
|
article
|
| 3 |
A hybrid particle-continuum resolution method and its application to a homopolymer solution
|
Qi, S.
|
|
2016
|
|
8-9 |
p. 1527-1549
|
article
|
| 4 |
A principle in dynamic coarse graining–Onsager principle and its applications
|
Doi, M.
|
|
2016
|
|
8-9 |
p. 1411-1421
|
article
|
| 5 |
A van der Waals density functional theory study of poly(vinylidene difluoride) crystalline phases
|
Pelizza, F.
|
|
2016
|
|
8-9 |
p. 1733-1742
|
article
|
| 6 |
Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling
|
Borrero, E.E.
|
|
2016
|
|
8-9 |
p. 1609-1620
|
article
|
| 7 |
Breaking a virus: Identifying molecular level failure modes of a viral capsid by multiscale modeling
|
Krishnamani, V.
|
|
2016
|
|
8-9 |
p. 1757-1774
|
article
|
| 8 |
Chemical potential calculations in dense liquids using metadynamics
|
Perego, C.
|
|
2016
|
|
8-9 |
p. 1621-1628
|
article
|
| 9 |
Comparison of iterative inverse coarse-graining methods
|
Rosenberger, David
|
|
2016
|
|
8-9 |
p. 1323-1345
|
article
|
| 10 |
Comparison of systematic coarse-graining strategies for soluble conjugated polymers
|
Scherer, C.
|
|
2016
|
|
8-9 |
p. 1441-1461
|
article
|
| 11 |
Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields
|
Rudzinski, J.F.
|
|
2016
|
|
8-9 |
p. 1373-1389
|
article
|
| 12 |
Current fluctuations in nanopores: The effects of electrostatic and hydrodynamic interactions
|
Zorkot, Mira
|
|
2016
|
|
8-9 |
p. 1583-1594
|
article
|
| 13 |
Directing the phase behavior of polyelectrolyte complexes using chiral patterned peptides
|
Pacalin, Naomi M.
|
|
2016
|
|
8-9 |
p. 1805-1815
|
article
|
| 14 |
Dynamics in entangled polyethylene melts
|
Salerno, K. Michael
|
|
2016
|
|
8-9 |
p. 1707-1722
|
article
|
| 15 |
Editorial
|
Site, Luigi Delle
|
|
2016
|
|
8-9 |
p. 1317-1321
|
article
|
| 16 |
Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example
|
De Nicola, Antonio
|
|
2016
|
|
8-9 |
p. 1817-1841
|
article
|
| 17 |
How walls affect the dynamics of self-phoretic microswimmers
|
Ibrahim, Y.
|
|
2016
|
|
8-9 |
p. 1843-1874
|
article
|
| 18 |
Multi-scale simulation method for electroosmotic flows
|
Guo, Lin
|
|
2016
|
|
8-9 |
p. 1551-1582
|
article
|
| 19 |
On the establishment of thermal diffusion in binary Lennard-Jones liquids
|
Ferrario, M.
|
|
2016
|
|
8-9 |
p. 1629-1642
|
article
|
| 20 |
Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations
|
Elfgen, Roman
|
|
2016
|
|
8-9 |
p. 1391-1409
|
article
|
| 21 |
Orientational dynamics in nematic liquid crystals
|
Humpert, A.
|
|
2016
|
|
8-9 |
p. 1723-1732
|
article
|
| 22 |
Parametrizing coarse grained models for molecular systems at equilibrium
|
Kalligiannaki, E.
|
|
2016
|
|
8-9 |
p. 1347-1372
|
article
|
| 23 |
Process-directed self-assembly of multiblock copolymers: Solvent casting vs spray coating
|
Tang, Q.
|
|
2016
|
|
8-9 |
p. 1785-1803
|
article
|
| 24 |
Representing environment-induced helix-coil transitions in a coarse grained peptide model
|
Dalgicdir, Cahit
|
|
2016
|
|
8-9 |
p. 1463-1481
|
article
|
| 25 |
Simulations of stretching a flexible polyelectrolyte with varying charge separation
|
Stevens, M.J.
|
|
2016
|
|
8-9 |
p. 1683-1692
|
article
|
| 26 |
Solvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on many-body Green's functions theory
|
Bagheri, B.
|
|
2016
|
|
8-9 |
p. 1743-1756
|
article
|
| 27 |
Static polarizability effects on counterion distributions near charged dielectric surfaces: A coarse-grained Molecular Dynamics study employing the Drude model
|
Bordin, José Rafael
|
|
2016
|
|
8-9 |
p. 1693-1705
|
article
|
| 28 |
Studying PMMA films on silica surfaces with generic microscopic and mesoscale models
|
Zhang, J.
|
|
2016
|
|
8-9 |
p. 1423-1440
|
article
|
| 29 |
Switch-like surface binding of competing multivalent particles
|
Tito, N.B.
|
|
2016
|
|
8-9 |
p. 1673-1682
|
article
|
| 30 |
The raspberry model for protein-like particles: Ellipsoids and confinement in cylindrical pores
|
Ustach, Vincent D.
|
|
2016
|
|
8-9 |
p. 1643-1662
|
article
|
| 31 |
Thermal and mechanical properties of thermosetting polymers using coarse-grained simulation
|
Jang, C.
|
|
2016
|
|
8-9 |
p. 1775-1783
|
article
|
| 32 |
Thermodynamic translational invariance in concurrent multiscale simulations of liquids
|
Everaers, R.
|
|
2016
|
|
8-9 |
p. 1483-1503
|
article
|
| 33 |
Understanding the stiffness of macromolecules: From linear chains to bottle-brushes
|
Binder, K.
|
|
2016
|
|
8-9 |
p. 1663-1671
|
article
|
Journal description