A carregar...
Energy-entropy prediction of octanol–water logP of SAMPL7 N-acyl sulfonamide bioisosters
Partition coefficients quantify a molecule’s distribution between two immiscible liquid phases. While there are many methods to compute them, there is not yet a method based on the free energy of each system in terms of energy and entropy, where entropy depends on the probability distribution of all...
Na minha lista:
| Publicado no: | J Comput Aided Mol Des |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2021
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8295089/ https://ncbi.nlm.nih.gov/pubmed/34244906 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-021-00401-w |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|