安裝中文字典英文字典辭典工具!
安裝中文字典英文字典辭典工具!
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- Plant Secondary Compound DataBase - Universidad de Talca
PSC-db is a free accessible database containing the 3D-structures of several Plant Secondary Compounds along with its physicochemical and pharmaceutical properties
- LigRMSD 1. 0
Here, we present LigRMSD, a free web-server for the automatic matching and RMSD calculations among identical or similar chemical compounds The core of LigRMSD was written in python language, and some critical libraries of RDkit were implemented
- Bienvenido! - bioapps. appsbio. utalca. cl
Bienvenido!Inicio
- Geomfinder 2. 0
Geomfinder* is an intuitive, flexible and ligand-independent web server for detailed estimation of similarities between all pairs of 3D patterns detected in any two given protein structures Geomfinder 2 0 is an enhanced version of our previous algorithm Important improvements have been incorporated: Allows to compare quaternary structures
- LigRMSD: a web server for automatic structure matching and RMSD . . .
Availability and implementation LigRMSD can be freely accessed at https: ligrmsd appsbio utalca cl Supplementary information Supplementary data are available at Bioinformatics online
- CorrEA - Correlations between calculated Energies and Activities in . . .
Determine the maximum correlation coefficient (R2) between experimental activities and computationally predicted binding energies of congeneric ligands in cross-docking results For this, select the option that analyzes the results based on the docking software you used
- (PDF) PSC-db: A Structured and Searchable 3D-Database for Plant . . .
PSC-db is freely available for public use at http: pscdb appsbio utalca cl (accessed on 6 January 2021)
- EXAMPLE OF USE: LigRMSDLink reference: https: ligrmsd. appsbio. utalca . . .
LigRMSD is a free web server for automatic matching and RMSD calculations among identical or similar chemical compounds For calculations, LigRMSD requires a set of molecules in MOL format (at least two) Once the user uploads the molecules, one of them (at least) must be selected as reference Then, all molecules will be compared
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