Achieving high permeability and enhanced selectivity for Angstrom-scale separations using artificial water channel membranes

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 64.1K citations

Engineering, Visual Molecular Dynamics, Molecular Biology +5

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Alexander D. MacKerell, Donald Bashford, M. Bellott et al. · The Journal of Physical Chemistry B · 1998 · 14.4K citations

Engineering, Molecular Biology, Computational Chemistry +17

The upper bound revisited

Lloyd M. Robeson · Journal of Membrane Science · 2008 · 5.7K citations

Computational Complexity, Upper Bound, Extremal Set Theory +1

Fast Mass Transport Through Sub-2-Nanometer Carbon Nanotubes

Jason K. Holt, Hyung Gyu Park, Yinmin Wang et al. · Science · 2006 · 2.9K citations

Engineering, Nanoporous Material, Porous Membrane +18

NAMD2: Greater Scalability for Parallel Molecular Dynamics

Laxmikant V. Kalé, Robert D. Skeel, Milind Bhandarkar et al. · Journal of Computational Physics · 1999 · 2.4K citations

Greater Scalability, Engineering, Molecular Biology +5