A carregar...
Blinded predictions of distribution coefficients in the SAMPL5 challenge
In the context of the SAMPL5 challenge water-cyclohexane distribution coefficients for 53 drug-like molecules were predicted. Four different models based on molecular dynamics free energy calculations were tested. All models initially assumed only one chemical state present in aqueous or organic pha...
Na minha lista:
| Publicado no: | J Comput Aided Mol Des |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2016
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5206288/ https://ncbi.nlm.nih.gov/pubmed/27677751 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9969-1 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|