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IHMCIF: an extension of the PDBx/mmCIF data standard for integrative structure determination methods
(2024)
IHMCIF (github.com/ihmwg/IHMCIF) is a data information framework that supports archiving and disseminating macromolecular structures determined by integrative or hybrid modeling (IHM), and making them Findable, Accessible, Interoperable, and Reusable (FAIR). IHMCIF is an extension of the Protein Data Bank Exchange/macromolecular Crystallographic Information Framework (PDBx/mmCIF) that serves as the framework for the Protein Data Bank (PDB) to archive experimentally determined atomic structures of biological macromolecules and their complexes with one another and small molecule ligands (e.g., enzyme cofactors and drugs). IHMCIF serves as the foundational data standard for the PDB-Dev prototype system, developed for archiving and disseminating integrative structures. It utilizes a flexible data representation to describe integrative structures that span multiple spatiotemporal scales and structural states with definitions for restraints from a variety of experimental methods contributing to integrative structural biology. The IHMCIF extension was created with the benefit of considerable community input and recommendations gathered by the Worldwide Protein Data Bank (wwPDB) Task Force for Integrative or Hybrid Methods (wwpdb.org/task/hybrid). Herein, we describe the development of IHMCIF to support evolving methodologies and ongoing advancements in integrative structural biology. Ultimately, IHMCIF will facilitate the unification of PDB-Dev data and tools with the PDB archive so that integrative structures can be archived and disseminated through PDB.
This open access book presents a unique collection of practical examples from the field of pharma business management and research. It covers a wide range of topics such as: "Brexit and its Impact on pharmaceutical Law - Implications for Global Pharma Companies", "Implementation of Measures and Sustainable Actions to Improve Employee's Engagement", "Global Medical Clinical and Regulatory Affairs (GMCRA)", and "A Quality Management System for R&D Project and Portfolio Management in a Pharmaceutical Company".
The chapters are summaries of master’s theses by "high potential" Pharma MBA students from the Goethe Business School, Frankfurt/Main, Germany, with 8-10 years of work experience and are based on scientific know-how and real-world experience. The authors applied their interdisciplinary knowledge gained in 22 months of studies in the MBA program to selected practical themes drawn from their daily business.
In order to consider the effects of online publishing on the career of researchers, as well as to encourage both its recognition and its improved positioning within the field and beyond, the CETAF Membership organized two workshops during which specific questions about scientific publishing in taxonomy were addressed: authorship citation and Open Access. The present opinion paper is the result of those workshops held on 19 October 2016 in Madrid and on 4 October 2017 in Heraklion. The discussions were aimed at reconciling the requirements of the relevant nomenclatural codes with recommendations for best practices that are adapted to the evolving landscape of e-publishing. By evaluating the different policies of a range of journals regarding authorship citation, we were able to recognise the conflicting and incoherent practices related to the citation of taxon authorships; an issue that is important to clarify for scientific (explicit source), practical (findability of source) and reputational (citation index) reasons. A collective policy on authorship citation also fits into the wider challenge faced by researchers and institutions, whereby interoperability and traceability become key priorities, both for facilitating access to scientific resources and for generating metrics that accurately represent the activities and output of the community. Publications resulting from publicly-funded research should be considered as an essential part of the research process and there has been a strong move towards Open Access, which increases visibility, citability, innovation and impact. Diverse models of Open Access have appeared in scientific publishing but while they each promote free access to the end user, they are not always equitable for the authors and funders of the original research. Herein we formulate recommendations for the relevant research communities and outline the advantages behind adopting a collective strategy towards the issues of authorship citation and Open Access.