A carregar...
Alchemical Grid Dock (AlGDock) calculations in the D3R Grand Challenge 3: Binding Free Energies between Flexible Ligands and Rigid Receptors
We participated in Subchallenges 1 and 2 of the Drug Design Data Resource (D3R) Grand Challenge 3. To prepare our submissions, we performed molecular docking with UCSF DOCK 6 and binding potential of mean force (BPMF) calculations — free energy calculations between flexible ligands and rigid recepto...
Na minha lista:
| Publicado no: | J Comput Aided Mol Des |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6363907/ https://ncbi.nlm.nih.gov/pubmed/30084078 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0143-9 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|