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SSIPTools: Software and Methodology for Surface Site Interaction Point (SSIP) Approach and Applications
[Image: see text] We present the SSIPTools suite of programs. SSIPTools is a collection of software modules enabling the use of the Surface Site Interaction Point (SSIP) molecular descriptors, used for the modeling of noncovalent interactions in neutral organic molecules. It contains an implementati...
Autores principales: | Driver, Mark D., Williamson, Mark J., De Mitri, Nicola, Nikolov, Teodor, Hunter, Christopher A. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8611717/ https://www.ncbi.nlm.nih.gov/pubmed/34714077 http://dx.doi.org/10.1021/acs.jcim.1c01006 |
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