Ecosyste.ms: Papers
An open API service providing mapping between scientific papers and software projects that are mentioned in them.
All mentions data is based on the CZI Software Mentions dataset.
Papers: 10.1038/s41598-020-61132-w
https://doi.org/10.1038/s41598-020-61132-w
Long-range replica exchange molecular dynamics guided drug repurposing against tyrosine kinase PtkA of Mycobacterium tuberculosis
Cited by: 10
Author(s): Priya Nagpal, Salma Jamal, Hina Singh, Waseem Ali, Sana Tanweer, Rahul Sharma, Abhinav Grover, Sonam Grover
Published: over 4 years ago
Software Mentions 3
pypi: rmsd
Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates (XYZ or PDB format), using rotation (fx. Kabsch algorithm), atom reordering (fx. Hungarian algorithm), and axis reflections, resulting in the minimal RMSD.Papers that mentioned: 12