Results 271 to 280 of about 326,099 (315)

mRNA delivery of a class 1/4 SARS-CoV-2 neutralizing antibody protects against diverse sarbecoviruses in a lethal mouse challenge model. [PDF]

open access: yesProc Natl Acad Sci U S A
Skelly AN   +39 more
europepmc   +1 more source

Redocking the PDB

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
openaire   +2 more sources

Building a Structured PDB: The RS-PDB Database

2006 International Conference of the IEEE Engineering in Medicine and Biology Society, 2006
A 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
openaire   +2 more sources

Overhauling the PDB

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The Brookhaven Protein Data Bank was once a pioneering database, but its organization of structural data is now outdated and in need of an upgrade.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
openaire   +2 more sources

PDB Data Curation

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
openaire   +2 more sources

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