Concepedia
Scientific Reports · 2017 · 31 citations · 68 references
Open access
68
Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems
Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 29.8K citations · Full text
Numerical Analysis, Engineering, Electrostatic Energies +18
PROCHECK: a program to check the stereochemical quality of protein structures
Roman A. Laskowski, Malcolm W. MacArthur, D. S. Moss et al. · Journal of Applied Crystallography · 1993 · 24.4K citations
Protein Structures, Procheck Suite, Protein Assembly +14
LINCS: A linear constraint solver for molecular simulations
Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 16.6K citations
Linear Constraint Solver, Bond Constraints, Molecular Sciences +15
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 15.8K citations
Cluster Computing, Engineering, Molecular Biology +21
Cd-hit: a fast program for clustering and comparing large sets of protein or nucleotide sequences
Weizhong Li, Adam Godzik · Bioinformatics · 2006 · 11.6K citations · Full text
Cluster Computing, Engineering, Molecular Biology +23