GROMACS 3.0: a package for molecular simulation and trajectory analysis

By Erik Lindahl, Berk Hess, D. van der Spoel. 2001

6,280 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy, Statistical and Nonlinear Physics

View Paper: https://www.semanticscholar.org/paper/f6380f7f090f2cae9fe723dae1873adf57126400

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Eric J. Sorin
2. Vijay S. Pande
3. A. G. D. Brevern
4. Bernard O. Offmann
5. Manoj Tyagi
6. C. Hetényi
7. José N. Onuchic
8. Randall J. Radmer

In Spectroscopy

1. Vijay S. Pande
2. Eric J. Sorin
3. C. Hetényi
4. Russ B. Altman
5. Randall J. Radmer
6. A. G. D. Brevern
7. Bernard O. Offmann
8. Manoj Tyagi

In Statistical and Nonlinear Physics

1. Vijay S. Pande
2. C. Hetényi
3. Eric J. Sorin
4. Russ B. Altman
5. A. G. D. Brevern
6. Bernard O. Offmann
7. Dariya S. Glazer
8. Manoj Tyagi

Citations in the corpus

• GPU Computing (2008, methodology): “3) Performance: The GROMACS [27] molecular dynamics software is highly tuned and uses hand-written SSE assembly loops.”
• Exploring the helix-coil transition via all-atom equilibrium ensemble simulations. (2005, methodology): “…et al., 1997), AMBER-GS (Garcia and Sanbonmatsu, 2001), AMBER-99 (Wang et al., 2000), and AMBER-99f all-atom potentials ported into the GROMACS molecular dynamics suite (Lindahl et al., 2001) as modified for the Folding@Home (Zagrovic et al., 2001) infrastructure (http://folding.stanford.edu).”
• PEBP1 Wardens Ferroptosis by Enabling Lipoxygenase Generation of Lipid Death Signals (2017, methodology): “GROMACS 3.0: a package for molecular simulation and trajectory analysis.”