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Publication for MMsINC
Computer aided design of amino acid based therapeutics: a review
[…] ped to pool the conventional pharmacophore matching with shape complementarity. A library of 17 million conformers were extracted from 3.9 million commercially available chemicals and gathered in the MMsINC database. The database was used as a skeleton to develop pepMMsMIMIC. In the pepMMsMIMIC interface, the 3D structure of a protein-bound peptide is used as an input. Then, chemical structures ab […]
From chromatogram to analyte to metabolite. How to pick horses for courses from the massive web resources for mass spectral plant metabolomics
[…] relevant and the structure and functionalities of the resources available.Chemspider , PubChem , Chemical Entities of Biological Interest (ChEBI) , ChEMBL , ChemBank , HMDB , MMCD , and MMsINC  are all large databases of small molecules with information such as chemical structure, molecular formula, and molecular/exact mass. Many of these databases complement each other, and data e […]
In Silico Study on Binding Specificity of Gonadotropins and Their Receptors: Design of a Novel and Selective Peptidomimetic for Human Follicle Stimulating Hormone Receptor
[…] ing tool. The pharmacophore model, generated based on the BSRs, was screened against a library of 17 million conformers obtained from 3.9 million commercially available chemical structures present in MMsINC® database . The pepMMsMIMIC webserver employs five types of scoring methods to optimize the selection of the peptide mimetics, of which we have used viz., 1) fingerprint based filtering of shap […]
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