GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

By S. Pronk, Szilárd Páll, R. Schulz, Per Larsson, P. Bjelkmar, R. Apostolov, Michael R. Shirts, Jeremy C. Smith, P. Kasson, D. van der Spoel and 2 more. Bioinform., 2013

7,077 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/e47b116ad942fffb241a7727c3a33ac97ef7e0eb

How researchers see this paper

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

In Computational Theory and Mathematics

1. Erik Lindahl
2. Chanjin Jung
3. Jingyu Lee
4. Bilal Shaker
5. Dokyun Na
6. Shuguang Yuan
7. H. C. Stephen Chan
8. Sajjad Ahmad

In Materials Chemistry

1. Mark James Abraham
2. Szilárd Páll
3. Erik Lindahl
4. Chanjin Jung
5. Jingyu Lee
6. Bilal Shaker
7. Dokyun Na
8. Shuguang Yuan

In Molecular Biology

1. Mark James Abraham
2. Erik Lindahl
3. Szilárd Páll
4. Chanjin Jung
5. Jingyu Lee
6. Bilal Shaker
7. Dokyun Na
8. Shuguang Yuan

Citations in the corpus

• Using PyMOL as a platform for computational drug design (2017, methodology): “The Dynamics 48 plugin allows researchers to perform MD simulations directly from the PyMOL software by GUI-based interface of Gromacs.”