4.8 Article

Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures

期刊

NUCLEIC ACIDS RESEARCH
卷 43, 期 D1, 页码 D465-D469

出版社

OXFORD UNIV PRESS
DOI: 10.1093/nar/gku1088

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资金

  1. National Science Foundation [MCB 0546073]
  2. National Institutes of Health [U01 GM086873, GM086873, TR000433]
  3. National Center for Advancing Translational Sciences (NCATS) [UL1TR000433]

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For over 10 years, Binding MOAD (Mother of All Databases; http://www.BindingMOAD.org) has been one of the largest resources for high-quality protein-ligand complexes and associated binding affinity data. Binding MOAD has grown at the rate of 1994 complexes per year, on average. Currently, it contains 23 269 complexes and 8156 binding affinities. Our annual updates curate the data using a semi-automated literature search of the references cited within the PDB file, and we have recently upgraded our website and added new features and function-alities to better serve Binding MOAD users. In order to eliminate the legacy application server of the old platform and to accommodate new changes, the website has been completely rewritten in the LAMP (Linux, Apache, MySQL and PHP) environment. The improved user interface incorporates current third-party plugins for better visualization of protein and ligand molecules, and it provides features like sorting, filtering and filtered downloads. In addition to the field-based searching, Binding MOAD now can be searched by structural queries based on the ligand. In order to remove redundancy, Binding MOAD records are clustered in different families based on 90% sequence identity. The new Binding MOAD, with the upgraded platform, features and functionalities, is now equipped to better serve its users.

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