Sentence examples for molecular modeling database from inspiring English sources
Patch determinations with a molecular viewer of crystalline structural models downloaded from the Entrez Molecular Modeling Database Web site led to the identification of 44 DRB, 33DQB, 29 DQA, 20 DPB, and 9 DPA unique combinations of polymorphic positions.
pccompound_structure for Protein3D-(A): this filter includes compounds found in the Molecular Modeling Database (MMDB) [27].
This study considers 47,123 small molecules with experimental 3-D coordinates available from the Molecular Modeling Database (MMDB) [31] deposition in PubChem (Additional file 1).
The query return 115 different substances associated with their data sources, most of which were deposited by the Molecular Modeling Database (MMDB).
The experimental 3-D structures of small molecules were downloaded from the Molecular Modeling Database (MMDB) ligand dataset [45, 46] as available from the PubChem Substance database at the National Center for Biotechnology Information (NCBI) (as of July 1 , 2010.
The "experimental" 3-D coordinate data set of small molecules used in the present study was downloaded from the Molecular Modeling DataBase (MMDB) [21, 22] ligand dataset as available from the PubChem Substance database at NCBI on October 20, 2006.
Computer-assisted (in silico) drug design is a compound design making extensive use of tools such as chemoinformatics, quantitative structure activity relationship, molecular modeling, databases, and expert systems for the prediction and simulation of drug properties and behavior.
The focus was on recent developments and trends in the fields of Chemoinformatics and Drug Discovery, Chemical Information, Patents and Databases, Molecular Modeling, Computational Material Science and Nanotechnology.
On the other hand, differently from what is predicted in databases, according molecular modeling and phylogenetic analysis, X. citri does not show a proper taurine transporter, but two different ABC systems related to the alkanesulfonate/sulfonate transport that were recently acquired during evolution.
performed molecular modeling.
