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.
Projects: pypi: freenrgworkflows
https://packages.ecosyste.ms/registries/pypi.org/packages/freenrgworkflows
python package for analysis relative free energy calculations with Sire
12 versions
Latest release: over 3 years ago
562 downloads last month
Papers Mentioning freenrgworkflows 2
10.1371/journal.pone.0213217
Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitorsCited by: 11
Author(s): José M. Granadino‐Roldán, Antonia S. J. S. Mey, Juan Gonzalez, Stefano Bosisio, Jaime Rubio-Martínez, Julien Michel
Software Mentions: 2
Published: almost 6 years ago
10.1039/c8sc03831g
A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitorsCited by: 18
Author(s): Alessio De Simone, C. Georgiou, Harris Ioannidis, Arun Gupta, Jordi Juárez-Jiménez, Dahlia Doughty-Shenton, Elizabeth A. Blackburn, Martin A. Wear, Jonathan Richards, Paul N. Barlow, Neil O. Carragher, Malcolm D. Walkinshaw, Alison N. Hulme, Julien Michel
Software Mentions: 1
Published: almost 6 years ago