GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.

By Berk Hess, Carsten Kutzner, D. van der Spoel, Erik Lindahl. Journal of Chemical Theory and Computation, 2008

15,253 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/8010fd602265f68b13feeb92978334d94ccb6942

How researchers see this paper

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

In Materials Chemistry

1. Justin A. Lemkul
2. Yury Gogotsi
3. Linfeng Zhang
4. Han Wang
5. E. Weinan
6. A. W. Sousa da Silva
7. Wim F. Vranken
8. Martin Weigt

In Molecular Biology

1. Justin A. Lemkul
2. Martin Weigt
3. David L. Mobley
4. H. Szurmant
5. Alexander Schug
6. Andrea Procaccini
7. Michael R. Shirts
8. Vijay S. Pande

In Spectroscopy

1. Justin A. Lemkul
2. Vijay S. Pande
3. David L. Mobley
4. D. van der Spoel
5. Alexandre M. J. J. Bonvin
6. Michael R. Shirts
7. Wim F. Vranken
8. A. W. Sousa da Silva

Citations in the corpus

• Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (2016, methodology): “Therefore, one of the tasks carried out in preparation for SAMPL5 was to prepare starting simulations in several of the most common molecular simulation packages (AMBER [7], GROMACS [8], LAMMPS [9], and DESMOND [10]).”
• Influence of the structure of carbon onions on their electrochemical performance in supercapacitor electrodes (2012, background): “[27] Hess B, Kutzner C, van der Spoel D, Lindahl E.”
• ACPYPE - AnteChamber PYthon Parser interfacE (2012, methodology): “org [53], a recent database of 145 organic molecules with some physical properties calculated and topologies for GAFF [17] and OPLS/AA validated by using the GROMACS software [54].”