Cargando…
Prediction of Positions of Active Compounds Makes It Possible To Increase Activity in Fragment-Based Drug Development
We have developed a computational method that predicts the positions of active compounds, making it possible to increase activity as a fragment evolution strategy. We refer to the positions of these compounds as the active position. When an active fragment compound is found, the following lead gener...
Autor principal: | Fukunishi, Yoshifumi |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4055877/ http://dx.doi.org/10.3390/ph4050758 |
Ejemplares similares
-
Prediction of Protein−compound Binding Energies from Known Activity Data: Docking‐score‐based Method and its Applications
por: Fukunishi, Yoshifumi, et al.
Publicado: (2018) -
Integration of Ligand-Based Drug Screening with Structure-Based Drug Screening by Combining Maximum Volume Overlapping Score with Ligand Doscking
por: Fukunishi, Yoshifumi, et al.
Publicado: (2012) -
LigandBox: A database for 3D structures of chemical compounds
por: Kawabata, Takeshi, et al.
Publicado: (2013) -
Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration water
por: Iida, Shinji, et al.
Publicado: (2021) -
A method to enhance the hit ratio by a combination of structure-based drug screening and ligand-based screening
por: Omagari, Katsumi, et al.
Publicado: (2008)