g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations

By R. Kumari, R. Kumar, A. Lynn. Journal of Chemical Information and Modeling, 2014

4,439 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Infectious Diseases, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/a4353c9880d9b96aeb9ef4456292f44c48bd22a9

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In Molecular Biology

1. Ray Luo
2. Li Xiao
3. D'Artagnan Greene
4. Changhao Wang
5. Ruxi Qi

Citations in the corpus

• Recent Developments and Applications of the MMPBSA Method (2018, methodology): “…membrane MMPBSA approach that involves multiple ligands binding to the same membrane protein (Homeyer and Gohlke, 2015). g_mmpbsa was developed for GROMACS, and it implemented the MMPBSA approach using subroutines written in-house or sourced from the GROMACS and APBS packages (Kumari et al., 2014).”