scholarly journals MESPEUS: a database of the geometry of metal sites in proteins

2008 ◽  
Vol 41 (5) ◽  
pp. 963-968 ◽  
Author(s):  
K. Hsin ◽  
Y. Sheng ◽  
M. M. Harding ◽  
P. Taylor ◽  
M. D. Walkinshaw
Keyword(s):  
Protein Molecule ◽  
Data Bank ◽  
Web Interface ◽  
Coordination Numbers ◽  
Data Resolution ◽  
Metal Metal ◽  
Set Up ◽  
Stored Information ◽  
Interacting Atoms ◽  
User Friendly

A database with details of the geometry of metal sites in proteins has been set up. The data are derived from metalloprotein structures that are in the Protein Data Bank [PDB; Berman, Henrick, Nakamura & Markley (2006).Nucleic Acids Res.35, D301–D303] and have been determined at 2.5 Å resolution or better. The database contains all contacts within the crystal asymmetric unit considered to be chemical bonds to any of the metals Na, Mg, K, Ca, Mn, Fe, Co, Ni, Cu or Zn. The stored information includes PDB code, crystal data, resolution of structure determination, refinement program andRfactor, protein class (from PDB header), contact distances, atom names of metal and interacting atoms as they appear in the PDB, site occupancies,Bvalues, coordination numbers, information on coordination shapes, and metal–metal distances. This may be accessed by SQL queries, or by a user-friendly web interface which searches for contacts between specified types of atoms [for example Ca and carboxylate O of aspartate, Co and imidazole Nδ of histidine] or which delivers details of all the metal sites in a specified protein. The web interface allows graphical display of the metal site, on its own or within the whole protein molecule, and may be accessed at http://eduliss.bch.ed.ac.uk/MESPEUS/. Some applications are briefly described, including a study of the characteristics of Mg sites that bind adenosine triphosphate, the derivation of an average Mg—Ophosphatedistance and some problems that arise when average bond distances with high precision are required.

ACMS: a database of alternate conformations found in the atoms of main and side chains of protein structures

2019 ◽  
Vol 52 (4) ◽  
pp. 910-913 ◽  
Author(s):  
R. Santhosh ◽  
P. Chandrasekaran ◽  
Daliah Michael ◽  
K. Rangachari ◽  
Namrata Bankoti ◽  
...  
Keyword(s):  
High Resolution ◽  
Knowledge Base ◽  
Crystal Structures ◽  
Protein Structures ◽  
Protein Molecule ◽  
Data Bank ◽  
Side Chain ◽  
Biological Macromolecules ◽  
Conformational Ensembles ◽  
User Friendly

Proteins are usually dynamic biological macromolecules, thereby exhibiting a large number of conformational ensembles which influence the association with their neighbours and interacting partners. Most of the side-chain atoms and a few main-chain atoms of the high-resolution crystal structures deposited in the Protein Data Bank adopt alternate conformations. This kind of conformational behaviour prompted the authors to explore the relationship, if any, between the alternate conformations and the function of the protein molecule. Thus, a knowledge base of the alternate conformations of the main- and side-chain atoms of protein structures has been developed. It provides a detailed description of the alternate conformations of various residues for more than 60 000 high-resolution crystal structures. The proposed knowledge base is very user friendly and has various flexible options. The knowledge base will be updated periodically and can be accessed at http://iris.physics.iisc.ac.in/acms.

scholarly journals Tribe: The collaborative platform for reproducible web-based analysis of gene sets

2016 ◽  
Author(s):  
René A. Zelaya ◽  
Aaron K. Wong ◽  
Alex T. Frase ◽  
Marylyn D. Ritchie ◽  
Casey S. Greene
Keyword(s):  
Open Source ◽  
Web Interface ◽  
Web Based ◽  
Gene Set ◽  
Collaborative Editing ◽  
Gene Sets ◽  
Collaborative Platform ◽  
Set Up ◽  
User Friendly ◽  
Multi Server

AbstractBackgroundThe adoption of new bioinformatics webservers provides biological researchers with new analytical opportunities but also raises workflow challenges. These challenges include sharing collections of genes with collaborators, translating gene identifiers to the most appropriate nomenclature for each server, tracking these collections across multiple analysis tools and webservers, and maintaining effective records of the genes used in each analysis.DescriptionIn this paper, we present the Tribe webserver (available at https://tribe.greenelab.com), which addresses these challenges in order to make multi-server workflows seamless and reproducible. This allows users to create analysis pipelines that use their own sets of genes in combinations of specialized data mining webservers and tools while seamlessly maintaining gene set version control. Tribe’s web interface facilitates collaborative editing: users can share with collaborators, who can then view, download, and edit these collections. Tribe’s fully-featured API allows users to interact with Tribe programmatically if desired. Tribe implements the OAuth 2.0 standard as well as gene identifier mapping, which facilitates its integration into existing servers. Access to Tribe’s resources is facilitated by an easy-to-install Python application called tribe-client. We provide Tribe and tribe-client under a permissive open-source license to encourage others to download the source code and set up a local instance or to extend its capabilities.ConclusionsThe Tribe webserver addresses challenges that have made reproducible multi-webserver workflows difficult to implement until now. It is open source, has a user-friendly web interface, and provides a means for researchers to perform reproducible gene set based analyses seamlessly across webservers and command line tools.

SIR2004: an improved tool for crystal structure determination and refinement

2005 ◽  
Vol 38 (2) ◽  
pp. 381-388 ◽  
Author(s):  
Maria C. Burla ◽  
Rocco Caliandro ◽  
Mercedes Camalli ◽  
Benedetta Carrozzini ◽  
Giovanni L. Cascarano ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ab Initio ◽  
Structure Determination ◽  
Protein Structures ◽  
Medium Size ◽  
Graphical Interface ◽  
Asymmetric Unit ◽  
Density Maps ◽  
Data Resolution ◽  
User Friendly

SIR2004is the evolution of theSIR2002program [Burla, Camalli, Carrozzini, Cascarano, Giacovazzo, Polidori & Spagna (2003).J. Appl. Cryst.36, 1103]. It is devoted to the solution of crystal structures by direct and Patterson methods. Several new features implemented inSIR2004make this program efficient: it is able to solveab initioboth small/medium-size structures as well as macromolecules (up to 2000 atoms in the asymmetric unit). In favourable circumstances, the program is also able to solve protein structures with data resolution up to 1.4–1.5 Å, and to provide interpretable electron density maps. A powerful user-friendly graphical interface is provided.

MetaADEDB 2.0: a comprehensive database on adverse drug events

2020 ◽  
Author(s):  
Zhuohang Yu ◽  
Zengrui Wu ◽  
Weihua Li ◽  
Guixia Liu ◽  
Yun Tang
Keyword(s):  
Safety Assessment ◽  
Adverse Drug Events ◽  
Adverse Event Reporting System ◽  
Adverse Event Reporting ◽  
Supplementary Information ◽  
Online Database ◽  
Web Interface ◽  
Drug Discovery And Development ◽  
Comprehensive Information ◽  
User Friendly

Abstract Summary MetaADEDB is an online database we developed to integrate comprehensive information on adverse drug events (ADEs). The first version of MetaADEDB was released in 2013 and has been widely used by researchers. However, it has not been updated for more than seven years. Here, we reported its second version by collecting more and newer data from the U.S. FDA Adverse Event Reporting System (FAERS) and Canada Vigilance Adverse Reaction Online Database, in addition to the original three sources. The new version consists of 744 709 drug–ADE associations between 8498 drugs and 13 193 ADEs, which has an over 40% increase in drug–ADE associations compared to the previous version. Meanwhile, we developed a new and user-friendly web interface for data search and analysis. We hope that MetaADEDB 2.0 could provide a useful tool for drug safety assessment and related studies in drug discovery and development. Availability and implementation The database is freely available at: http://lmmd.ecust.edu.cn/metaadedb/. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals VIP-HL: Semi-automated ACMG/AMP variant interpretation platform for genetic hearing loss

2020 ◽  
Author(s):  
Jiguang Peng ◽  
Jiale Xiang ◽  
Xiangqian Jin ◽  
Junhua Meng ◽  
Nana Song ◽  
...  
Keyword(s):  
Hearing Loss ◽  
Expert Panel ◽  
Sequence Variant ◽  
Variant Interpretation ◽  
Web Interface ◽  
Online Tool ◽  
Genetic Hearing Loss ◽  
Genetics And Genomics ◽  
Evidence Based Guidelines ◽  
User Friendly

The American College of Medical Genetics and Genomics, and the Association for Molecular Pathology (ACMG/AMP) have proposed a set of evidence-based guidelines to support sequence variant interpretation. The ClinGen hearing loss expert panel (HL-EP) introduced further specifications into the ACMG/AMP framework for genetic hearing loss. This study developed a tool named VIP-HL, aiming to semi-automate the HL ACMG/AMP rules. VIP-HL aggregates information from external databases to automate 13 out of 24 ACMG/AMP rules specified by HL-EP, namely PVS1, PS1, PM1, PM2, PM4, PM5, PP3, BA1, BS1, BS2, BP3, BP4, and BP7. We benchmarked VIP-HL using 50 variants where 83 rules were activated by the ClinGen HL-EP. VIP-HL concordantly activated 96% (80/83) rules, significantly higher than that of by InterVar (47%; 39/83). Of 4948 ClinVar star 2+ variants from 142 deafness-related genes, VIP-HL achieved an overall variant interpretation concordance in 88.0% (4353/4948). VIP-HL is an integrated online tool for reliable automated variant classification in hearing loss genes. It assists curators in variant interpretation and provides a platform for users to share classifications with each other. VIP-HL is available with a user-friendly web interface at http://hearing.genetics.bgi.com/.

scholarly journals The Microbe Directory: An annotated, searchable inventory of microbes’ characteristics

2018 ◽  
Vol 2 ◽  
pp. 3 ◽  
Author(s):  
Heba Shaaban ◽  
David A. Westfall ◽  
Rawhi Mohammad ◽  
David Danko ◽  
Daniela Bezdan ◽  
...  
Keyword(s):  
Biofilm Formation ◽  
Large Scale ◽  
Research Effort ◽  
Gram Stain ◽  
Web Interface ◽  
Ongoing Effort ◽  
Student Researchers ◽  
User Friendly ◽  
Optimal Ph ◽  
Online Web

The Microbe Directory is a collective research effort to profile and annotate more than 7,500 unique microbial species from the MetaPhlAn2 database that includes bacteria, archaea, viruses, fungi, and protozoa. By collecting and summarizing data on various microbes’ characteristics, the project comprises a database that can be used downstream of large-scale metagenomic taxonomic analyses, allowing one to interpret and explore their taxonomic classifications to have a deeper understanding of the microbial ecosystem they are studying. Such characteristics include, but are not limited to: optimal pH, optimal temperature, Gram stain, biofilm-formation, spore-formation, antimicrobial resistance, and COGEM class risk rating. The database has been manually curated by trained student-researchers from Weill Cornell Medicine and CUNY—Hunter College, and its analysis remains an ongoing effort with open-source capabilities so others can contribute. Available in SQL, JSON, and CSV (i.e. Excel) formats, the Microbe Directory can be queried for the aforementioned parameters by a microorganism’s taxonomy. In addition to the raw database, The Microbe Directory has an online counterpart (https://microbe.directory/) that provides a user-friendly interface for storage, retrieval, and analysis into which other microbial database projects could be incorporated. The Microbe Directory was primarily designed to serve as a resource for researchers conducting metagenomic analyses, but its online web interface should also prove useful to any individual who wishes to learn more about any particular microbe.

scholarly journals COVID-19 preVIEW: Semantic Search to Explore COVID-19 Research Preprints

2021 ◽  
Author(s):  
Lisa Langnickel ◽  
Roman Baum ◽  
Johannes Darms ◽  
Sumit Madan ◽  
Juliane Fluck
Keyword(s):  
Search Engine ◽  
Access Point ◽  
Semantic Search ◽  
Web Interface ◽  
Disease Trajectory ◽  
Human Genes ◽  
Central Access ◽  
Semantic Information Retrieval ◽  
User Friendly ◽  
Semantic Search Engine

During the current COVID-19 pandemic, the rapid availability of profound information is crucial in order to derive information about diagnosis, disease trajectory, treatment or to adapt the rules of conduct in public. The increased importance of preprints for COVID-19 research initiated the design of the preprint search engine preVIEW. Conceptually, it is a lightweight semantic search engine focusing on easy inclusion of specialized COVID-19 textual collections and provides a user friendly web interface for semantic information retrieval. In order to support semantic search functionality, we integrated a text mining workflow for indexing with relevant terminologies. Currently, diseases, human genes and SARS-CoV-2 proteins are annotated, and more will be added in future. The system integrates collections from several different preprint servers that are used in the biomedical domain to publish non-peer-reviewed work, thereby enabling one central access point for the users. In addition, our service offers facet searching, export functionality and an API access. COVID-19 preVIEW is publicly available at https://preview.zbmed.de.

scholarly journals Arabic-English Parallel Corpus: A New Resource for Translation Training and Language Teaching

2017 ◽  
Author(s):  
Arab World English Journal ◽  
Hind M. Alotaibi
Keyword(s):  
Language Teaching ◽  
Data Driven ◽  
Text Segmentation ◽  
Web Interface ◽  
King Saud University ◽  
Parallel Corpora ◽  
Parallel Corpus ◽  
Source Language ◽  
User Friendly ◽  
Ongoing Project

Parallel corpora can be defined as collections of aligned, translated texts of two or more languages. They play a major role in translation and contrastive studies, and are also becoming popular in translation training and language teaching, with the advent of the data-driven learning (DDL) approach. Despite their significance, however, Arabic seems to lack a satisfactory general-use parallel corpus resource. The literature describes few Arabic–English parallel corpora, and these few are usually inaccurate and/or expensive. Some are small in size, while others are restricted in terms of genre, failing to meet the requirements of many academics and researchers. This paper describes an ongoing project at the College of Languages and Translation, King Saud University, to compile a 10-million-word Arabic–English parallel corpus to be used as a resource for translation training and language teaching. The bidirectional corpus can be used to compare translated and source language and identify differences. The corpus has been manually verified at different stages, including translation, text segmentation, alignment, and file preparation; it is available as full-text in XML format and through a user-friendly web interface that provides a concordancer to support bilingual search queries and several filtering options.

NCBI submission protocol for microbial pathogen surveillance v2

2021 ◽  
Author(s):  
Ruth E Timme ◽  
Maria Balkey ◽  
Robyn Randolph ◽  
Julie Haendiges ◽  
Sai Laxmi Gubbala Venkata ◽  
...  
Keyword(s):  
Active Surveillance ◽  
Genome Sequence ◽  
Large Volume ◽  
Pathogen Detection ◽  
Sequence Data ◽  
Whole Genome Sequence ◽  
Whole Genome ◽  
Web Interface ◽  
Data Submission ◽  
Set Up

PURPOSE: Step-by-step instructions for submitting pathogen whole genome sequence data to NCBI and to the NCBI Pathogen Detection portal. This protocol covers the steps needed to establish a new NCBI submission environment for your laboratory, including the creation of new BioProject(s) and submission groups. Once these are step up, the protocol then walks through the process for submitting raw reads to SRA and sample metadata to BioSample through the Submission portal. SCOPE: for use by any laboratory submitting WGS data for species under active surveillance within NCBI’s Pathogen Detection. (This includes US laboratories in GenomeTrakr, NARMS, Vet-LIRN, PulseNet, and other non-US networks and submitters). For new submitters, there's quite a bit of groundwork that needs to be established before a laboratory can start its first data submission. We recommend that one person in the laboratory take a few days to get everything set up in advance of when you expect to do your first data submission. If you need a pipeline for frequent or large volume submissions, follow Step 1 to get your NCBI submission environment established, then contact [email protected] to set up an account for submitting through the API. This protocol covers submission using NCBI's Submission Portal web-interface. Version history: V5: Linking directly to the metadata template guidance instead of including duplicate copies of the files in this protocol. Updated screenshot for choosing the pathogen template to reflect changes at NCBI. V4: updated screenshots to reflect NCBI submission portal changes. Updated custom BioSample template.

Sign in / Sign up

Export Citation Format

Share Document