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AmberMDrun: A Scripting Tool for Running Amber MD in an Easy Way
MD simulations have been widely applied and become a powerful tool in the field of biomacromolecule simulations and computer-aided drug design, etc., which can estimate binding free energy between receptor and ligand. However, the inputs and force field preparation for performing Amber MD is somewha...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10135445/ https://www.ncbi.nlm.nih.gov/pubmed/37189382 http://dx.doi.org/10.3390/biom13040635 |