Computational Analysis of Protein-Ligand Interaction.
نویسندگان
چکیده
منابع مشابه
Computational prediction and analysis of protein-protein interaction networks
Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional modules and pathways. Reconstruction and comparative analysis of these networks provide useful information to identify functional modules, prioritization of d...
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Most of the biological processes are governed through specific protein-ligand interactions. Discerning different components that contribute toward a favorable protein- ligand interaction could contribute significantly toward better understanding protein function, rationalizing drug design and obtaining design principles for protein engineering. The Protein Data Bank (PDB) currently hosts the st...
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A comprehensive database named, protein ligand interaction database (PLID), is created with 6295 ligands bound to proteins extracted from the protein data bank (PDB). This is by far the most comprehensive database of physico-chemical properties, quantum mechanical descriptors and the residues present in the active site of proteins. It is a publicly available web-based database (via the Internet...
متن کاملConstruction and Analysis of Tissue-Specific Protein-Protein Interaction Networks in Humans
We have studied the changes in protein-protein interaction network of 38 different tissues of the human body. 123 gene expression samples from these tissues were used to construct human protein-protein interaction network. This network is then pruned using the gene expression samples of each tissue to construct different protein-protein interaction networks corresponding to different studied ti...
متن کاملCharacterization of protein-ligand interaction sites using experimental and computational methods.
The ability to identify the sites of a protein that can bind with high affinity to small, drug-like compounds has been an important goal in drug design. Accurate prediction of druggable sites and the identification of small compounds binding in those sites have provided the input for fragment-based combinatorial approaches that allow for a more thorough exploration of the chemical space, and th...
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ژورنال
عنوان ژورنال: Journal of Synthetic Organic Chemistry, Japan
سال: 1996
ISSN: 0037-9980,1883-6526
DOI: 10.5059/yukigoseikyokaishi.54.427