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mRNA delivery of a class 1/4 SARS-CoV-2 neutralizing antibody protects against diverse sarbecoviruses in a lethal mouse challenge model. [PDF]
Skelly AN +39 more
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Correction to "Intrinsically dominant conformational diversity in PDZ1 within the tandem PDZ1-PDZ2 of human syntenin-1 underlain by crystal structures". [PDF]
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Journal of Chemical Information and Modeling, 2023
Molecular docking is a standard technique in structure-based drug design (SBDD). It aims to predict the 3D structure of a small molecule in the binding site of a receptor (often a protein). Despite being a common technique, it often necessitates multiple tools and involves manual steps. Here, we present the JAMDA preprocessing and docking workflow that
Florian Flachsenberg +3 more
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Molecular docking is a standard technique in structure-based drug design (SBDD). It aims to predict the 3D structure of a small molecule in the binding site of a receptor (often a protein). Despite being a common technique, it often necessitates multiple tools and involves manual steps. Here, we present the JAMDA preprocessing and docking workflow that
Florian Flachsenberg +3 more
openaire +2 more sources
Building a Structured PDB: The RS-PDB Database
2006 International Conference of the IEEE Engineering in Medicine and Biology Society, 2006A method for automatically analyzing structures deposited in the Protein Data Bank is presented. The method is capable to detect missing atoms, bond length deviations, atom bumps and to correctly identify protein-ligand complexes. The results are organized into a database, called the Rich Structure PDB (RS-PDB in short) from which one can easily select
Zoltan Szabadka, Vince Grolmusz
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Nature Biotechnology, 2007
The Brookhaven Protein Data Bank was once a pioneering database, but its organization of structural data is now outdated and in need of an upgrade.
Schierz, Amanda C. +2 more
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The Brookhaven Protein Data Bank was once a pioneering database, but its organization of structural data is now outdated and in need of an upgrade.
Schierz, Amanda C. +2 more
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2006 International Conference of the IEEE Engineering in Medicine and Biology Society, 2006
In this paper, we propose two architectures for curating PDB data to improve its quality. The first one, PDB Data Curation System, is developed by adding two parts, Checking Filter and Curation Engine, between User Interface and Database. This architecture supports the basic PDB data curation.
Yan Chao Wang, Rajshekhar Sunderraman
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In this paper, we propose two architectures for curating PDB data to improve its quality. The first one, PDB Data Curation System, is developed by adding two parts, Checking Filter and Curation Engine, between User Interface and Database. This architecture supports the basic PDB data curation.
Yan Chao Wang, Rajshekhar Sunderraman
openaire +2 more sources

