1. Editorial

   • Luigi Delle Site
   • Markus Deserno
   • Harald Pleiner

   Editorial 10 October 2016 Pages: 1317 - 1321

2. Comparison of iterative inverse coarse-graining methods

   • David Rosenberger
   • Martin Hanke
   • Nico F.A. van der Vegt

   Regular Article 10 October 2016 Pages: 1323 - 1345

3. Parametrizing coarse grained models for molecular systems at equilibrium

   • E. Kalligiannaki
   • A. Chazirakis
   • V. Harmandaris

   Regular Article 10 October 2016 Pages: 1347 - 1372

4. Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields

   • J.F. Rudzinski
   • T. Bereau

   Regular Article 18 July 2016 Pages: 1373 - 1389

5. Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations

   • Roman Elfgen
   • Marco Hülsmann
   • Dirk Reith

   Regular Article 10 October 2016 Pages: 1391 - 1409

6. A principle in dynamic coarse graining–Onsager principle and its applications

   • M. Doi

   Regular Article 18 July 2016 Pages: 1411 - 1421

7. Studying PMMA films on silica surfaces with generic microscopic and mesoscale models

   • J. Zhang
   • D. Mukherji
   • K.Ch. Daoulas

   Regular Article 18 July 2016 Pages: 1423 - 1440

8. Comparison of systematic coarse-graining strategies for soluble conjugated polymers

   • C. Scherer
   • D. Andrienko

   Regular Article 18 July 2016 Pages: 1441 - 1461

9. Representing environment-induced helix-coil transitions in a coarse grained peptide model

   • Cahit Dalgicdir
   • Christoph Globisch
   • Christine Peter

   Regular Article 10 October 2016 Pages: 1463 - 1481

10. Thermodynamic translational invariance in concurrent multiscale simulations of liquids

    • R. Everaers

    Regular Article 18 July 2016 Pages: 1483 - 1503

11. Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations

    • M. Heidari
    • R. Cortes-Huerto
    • R. Potestio

    Regular Article 18 July 2016 Pages: 1505 - 1526

12. A hybrid particle-continuum resolution method and its application to a homopolymer solution

    • S. Qi
    • H. Behringer
    • F. Schmid

    Regular Article 18 July 2016 Pages: 1527 - 1549

13. Multi-scale simulation method for electroosmotic flows

    • Lin Guo
    • Shiyi Chen
    • Mark O. Robbins

    Regular Article 10 October 2016 Pages: 1551 - 1582

14. Current fluctuations in nanopores: The effects of electrostatic and hydrodynamic interactions

    • Mira Zorkot
    • Ramin Golestanian
    • Douwe Jan Bonthuis

    Regular Article Open access 10 October 2016 Pages: 1583 - 1594

15. Adaptive resolution simulation of an atomistic DNA molecule in MARTINI salt solution

    • J. Zavadlav
    • R. Podgornik
    • M. Praprotnik

    Regular Article Open access 18 July 2016 Pages: 1595 - 1607

16. Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling

    • E.E. Borrero
    • C. Dellago

    Regular Article 18 July 2016 Pages: 1609 - 1620

17. Chemical potential calculations in dense liquids using metadynamics

    • C. Perego
    • F. Giberti
    • M. Parrinello

    Regular Article 18 July 2016 Pages: 1621 - 1628

18. On the establishment of thermal diffusion in binary Lennard-Jones liquids

    • M. Ferrario
    • S. Bonella
    • G. Ciccotti

    Regular Article 18 July 2016 Pages: 1629 - 1642

19. The raspberry model for protein-like particles: Ellipsoids and confinement in cylindrical pores

    • Vincent D. Ustach
    • Roland Faller

    Regular Article 10 October 2016 Pages: 1643 - 1662

20. Understanding the stiffness of macromolecules: From linear chains to bottle-brushes

    • K. Binder
    • H.-P. Hsu
    • W. Paul

    Review 18 July 2016 Pages: 1663 - 1671

21. Switch-like surface binding of competing multivalent particles

    • N.B. Tito
    • D. Frenkel

    Regular Article Open access 18 July 2016 Pages: 1673 - 1682

22. Simulations of stretching a flexible polyelectrolyte with varying charge separation

    • M.J. Stevens
    • O.A. Saleh

    Regular Article 22 July 2016 Pages: 1683 - 1692

23. Static polarizability effects on counterion distributions near charged dielectric surfaces: A coarse-grained Molecular Dynamics study employing the Drude model

    • José Rafael Bordin
    • Rudolf Podgornik
    • Christian Holm

    Regular Article 10 October 2016 Pages: 1693 - 1705

24. Dynamics in entangled polyethylene melts

    • K. Michael Salerno
    • Anupriya Agrawal
    • Gary S. Grest

    Regular Article 10 October 2016 Pages: 1707 - 1722

25. Orientational dynamics in nematic liquid crystals

    • A. Humpert
    • A.J. Masters
    • M.P. Allen

    Regular Article 18 July 2016 Pages: 1723 - 1732

26. A van der Waals density functional theory study of poly(vinylidene difluoride) crystalline phases

    • F. Pelizza
    • B.R. Smith
    • K. Johnston

    Regular Article 18 July 2016 Pages: 1733 - 1742

27. Solvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on many-body Green's functions theory

    • B. Bagheri
    • M. Karttunen
    • B. Baumeier

    Regular Article Open access 18 July 2016 Pages: 1743 - 1756

28. Breaking a virus: Identifying molecular level failure modes of a viral capsid by multiscale modeling

    • V. Krishnamani
    • C. Globisch
    • M. Deserno

    Regular Article 18 July 2016 Pages: 1757 - 1774

29. Thermal and mechanical properties of thermosetting polymers using coarse-grained simulation

    • C. Jang
    • C.F. Abrams

    Regular Article 18 July 2016 Pages: 1775 - 1783

30. Process-directed self-assembly of multiblock copolymers: Solvent casting vs spray coating

    • Q. Tang
    • J. Tang
    • M. Müller

    Regular Article 18 July 2016 Pages: 1785 - 1803

31. Directing the phase behavior of polyelectrolyte complexes using chiral patterned peptides

    • Naomi M. Pacalin
    • Lorraine Leon
    • Matthew Tirrell

    Regular Article 10 October 2016 Pages: 1805 - 1815

32. Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example

    • Antonio De Nicola
    • Toshihiro Kawakatsu
    • Giuseppe Milano

    Regular Article 10 October 2016 Pages: 1817 - 1841

33. How walls affect the dynamics of self-phoretic microswimmers

    • Y. Ibrahim
    • T.B. Liverpool

    Regular Article Open access 10 October 2016 Pages: 1843 - 1874