Description:

fragpele 3.1.4

FrAG-PELE:
A novel fragment-based growing tool for hit-to-lead in drug design



Installation
https://carlesperez94.github.io/frag_pele/installation.html


Getting Started:
https://carlesperez94.github.io/frag_pele/first_steps.html


Cite

Perez Lopez, C.; Soler, D.; Soliva, R.; Guallar, V. FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-to-Lead Drug Design. J. Chem. Inf. Model. 2020. https://doi.org/10.1021/acs.jcim.9b00938.

License

For personal and professional use. You cannot resell or redistribute these repositories in their original state.

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