Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and space

Water–Peptide Dynamics during Conformational Transitions

(2013) Dmitry Nerukh et al.   Journal of Physical Chemistry Letters

Mixing atoms and coarse-grained beads in modelling polymer melts

(2012) Nicodemo di Pasquale et al.   JOURNAL OF CHEMICAL PHYSICS

Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir

(2012) S. Fritsch et al.   PHYSICAL REVIEW LETTERS

A hybrid molecular continuum method using point wise coupling

(2010) Nikolaos Asproulis et al.   ADVANCES IN ENGINEERING SOFTWARE

A unified model of protein dynamics

(2009) H. Frauenfelder et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Anton, a special-purpose machine for molecular dynamics simulation

(2008) David E. Shaw et al.   COMMUNICATIONS OF THE ACM