Second-order Poisson–Nernst–Planck solver for ion transport

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

Numerical analysis of blood flow in the heart

Charles S. Peskin · Journal of Computational Physics · 1977 · 3K citations

Numerical Analysis, Heart Failure, Physiology +5

PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations

T. J. Dolinsky, Paul Czodrowski, Hui Li et al. · Nucleic Acids Research · 2007 · 2K citations · Full text

Reduced surface: An efficient way to compute molecular surfaces

Michel F. Sanner, Arthur J. Olson, Jean-Claude Spehner · Biopolymers · 1996 · 2K citations

Molecular Surfaces, Molecular Dynamics, Engineering +15

A Non-oscillatory Eulerian Approach to Interfaces in Multimaterial Flows (the Ghost Fluid Method)

Ronald Fedkiw, Tariq D. Aslam, Barry Merriman et al. · Journal of Computational Physics · 1999 · 1.9K citations

Numerical Analysis, Multimaterial Flows, Engineering +11