A carregar...
Combinatorial–computational–chemoinformatics (C(3)) approach to finding and analyzing low-energy tautomers
Finding the most stable tautomer or a set of low-energy tautomers of molecules is critical in many aspects of molecular modelling or virtual screening experiments. Enumeration of low-energy tautomers of neutral molecules in the gas-phase or typical solvents can be performed by applying available org...
Na minha lista:
| Main Authors: | , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Netherlands
2010
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2886899/ https://ncbi.nlm.nih.gov/pubmed/20361238 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-010-9344-6 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|