Keywords
Affiliated Institutions
Related Publications
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Abstract Motivation: Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of genomic and structural data are changi...
MDAnalysis: A toolkit for the analysis of molecular dynamics simulations
Abstract MDAnalysis is an object‐oriented library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein structures. It i...
Scalable molecular dynamics with NAMD
Abstract NAMD is a parallel molecular dynamics code designed for high‐performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high‐end par...
GROMACS: Fast, flexible, and free
Abstract This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the...
Pteros: Fast and easy to use open‐source C++ library for molecular analysis
Abstract An open‐source Pteros library for molecular modeling and analysis of molecular dynamics trajectories for C++ programming language is introduced. Pteros provides a numbe...
Publication Info
- Year
- 2001
- Type
- article
- Volume
- 7
- Issue
- 8
- Pages
- 306-317
- Citations
- 6824
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1007/s008940100045