Cargando…
PDBToSDF: Create ligand structure files from PDB file
Protein Data Bank (PDB) file contains atomic data for protein and ligand in protein-ligand complexes. Structure data file (SDF) contains data for atoms, bonds, connectivity and coordinates of molecule for ligands. We describe PDBToSDF as a tool to separate the ligand data from pdb file for the calcu...
Autores principales: | Muppalaneni, Naresh Babu, Rao, Allam Appa |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Biomedical Informatics
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3163917/ https://www.ncbi.nlm.nih.gov/pubmed/21904426 |
Ejemplares similares
-
pdb-care (PDB CArbohydrate REsidue check): a program to support annotation of complex carbohydrate structures in PDB files
por: Lütteke, Thomas, et al.
Publicado: (2004) -
A tool for the post data analysis of screened compounds derived from computer-aided docking scores
por: Rao, Gali Nageswara, et al.
Publicado: (2013) -
BeEM: fast and faithful conversion of mmCIF format structure files to PDB format
por: Zhang, Chengxin
Publicado: (2023) -
FASTAFS: file system virtualisation of random access compressed FASTA files
por: Hoogstrate, Youri, et al.
Publicado: (2021) -
Virtual screening of plant derived compounds for aldose reductase inhibition using molecular docking
por: Muppalaneni, Naresh Babu, et al.
Publicado: (2012)