منابع مشابه
Molecular Dynamics and Molecular Docking Studies on the Interaction between Four Tetrahydroxy Derivatives of Polyphenyls and Beta Amyloid
Interactions of 3,3',4,4'-tetrahydroxybiphenyl (BPT) and three isomeric 3,3",4,4"-tetrahydroxyterphenyls (OTT, MTT, PTT) with Alzheimer’s amyloid-β peptide (Aβ) were studied by molecular dynamics simulation and molecular docking. Structural parameters such as Root-mean-square derivations (RMSD), radial distribution function (RDF), helix percentage and other physical parameters were obtained. Th...
متن کاملIMID: integrated molecular interaction database
MOTIVATION Molecular interaction information, such as protein-protein interactions and protein-small molecule interactions, is indispensable for understanding the mechanism of biological processes and discovering treatments for diseases. Many databases have been built by manual annotation of literature to organize such information into structured form. However, most databases focus on only one ...
متن کاملMINT: a Molecular INTeraction database.
Protein interaction databases represent unique tools to store, in a computer readable form, the protein interaction information disseminated in the scientific literature. Well organized and easily accessible databases permit the easy retrieval and analysis of large interaction data sets. Here we present MINT, a database (http://cbm.bio.uniroma2.it/mint/index.html) designed to store data on func...
متن کاملMINT: the Molecular INTeraction database
The Molecular INTeraction database (MINT, http://mint.bio.uniroma2.it/mint/) aims at storing, in a structured format, information about molecular interactions (MIs) by extracting experimental details from work published in peer-reviewed journals. At present the MINT team focuses the curation work on physical interactions between proteins. Genetic or computationally inferred interactions are not...
متن کاملMolecular Evaluation using Comparative Molecular Interaction Profile Analysis system
Comparative M olecularInteraction ProfileAnalysis system (CoM IPA) thatutilize virtualdocking study for comprehensive analysis of molecular interactions.The dockingengineuses AutoDock 3.0, which is widely used for docking evaluation of small molecule compound/protein complexes. By using pre-made grid maps for each receptor, the system can evaluate the possibility of these interactions faster.W ...
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ژورنال
عنوان ژورنال: Theoretical Computer Science
سال: 2002
ISSN: 0304-3975
DOI: 10.1016/s0304-3975(02)00030-0