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UPDATING BINDING MOAD — DATA MANAGEMENT AND INFORMATION WORKFLOW

Departments of Medicinal Chemistry, Bioinformatics, and Biophysics, University of Michigan, Ann Arbor, 428 Church St. Ann Arbor MI 48109-1065, USA

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RICHARD D. SMITH

Departments of Medicinal Chemistry, Bioinformatics, and Biophysics, University of Michigan, Ann Arbor, 428 Church St. Ann Arbor MI 48109-1065, USA

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NICKOLAY A. KHAZANOV

Departments of Medicinal Chemistry, Bioinformatics, and Biophysics, University of Michigan, Ann Arbor, 428 Church St. Ann Arbor MI 48109-1065, USA

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HEATHER A. CARLSON

Departments of Medicinal Chemistry, Bioinformatics, and Biophysics, University of Michigan, Ann Arbor, 428 Church St. Ann Arbor MI 48109-1065, USA

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BRANDON DIMCHEFF

Torrey Path, LLC 255 East Liberty Street, Suite 273 Ann Arbor, MI 48104, USA

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, and

PETER DRESSLAR

Torrey Path, LLC 255 East Liberty Street, Suite 273 Ann Arbor, MI 48104, USA

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https://doi.org/10.1142/S1793005710001608Cited by:1 (Source: Crossref)

Abstract

Binding MOAD (Mother of All Databases) is the largest collection of high-quality, protein-ligand complexes available from the Protein Data Bank. It has grown to 9837 hand-curated entries. Here, we describe our semi-annual updating procedures and BUDA (Binding Unstructured Data Analysis), a custom workflow tool that incorporates natural language processing technologies to facilitate the annotation process.

Keywords:

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