The CELLmicrocosmos Tools: A Small History of Java-Based Cell and Membrane Modelling Open Source Software Development.

For more than one decade, CELLmicrocosmos tools are being developed. Here, we discus some of the technical and administrative hurdles to keep a software suite running so many years. The tools were being developed during a number of student projects and theses, whereas main developers refactored and maintained the code over the years. The focus of this publication is laid on two Java-based Open Source Software frameworks. Firstly, the CellExplorer with the PathwayIntegration combines the mesoscopic and the functional level by mapping biological networks onto cell components using database integration. Secondly, the MembraneEditor enables users to generate membranes of different lipid and protein compositions using the PDB format. Technicalities will be discussed as well as the historical development of these tools with a special focus on group-based development. In this way, university-associated developers of Integrative Bioinformatics applications should be inspired to go similar ways. All tools discussed in this publication can be downloaded and installed from https://www.CELLmicrocosmos.org.

Evolution of illustrations in anatomy: a study from the classical period in Europe to modern times.

Illustrations constitute an essential element of learning anatomy in modern times. However it required a significant evolutionary process spread over centuries, for illustrations to achieve the present status in the subject of anatomy. This review article attempts to outline the evolutionary process by highlighting on the works of esteemed anatomists in a chronological manner. Available literature suggests that illustrations were not used in anatomy during the classical period when the subject was dominated by the descriptive text of Galen. Guido da Vigevano was first to use illustrations in anatomy during the Late Middle Ages and this concept developed further during the Renaissance period when Andreas Vesalius pioneered in illustrations becoming an indispensable tool in conveying anatomical details. Toward later stages of the Renaissance period, Fabricius ab Aquapendente endeavored to restrict dramatization of anatomical illustrations which was a prevalent trend in early Renaissance. During the 18th century, anatomical artwork was characterized by the individual styles of prominent anatomists leading to suppression of anatomical details. In the 19th century, Henry Gray used illustrations in his anatomical masterpiece that focused on depicting anatomical structures and were free from any artistic style. From early part of the 20th century medical images and photographs started to complement traditional handmade anatomical illustrations. Computer technology and advanced software systems played a key role in the evolution of anatomical illustrations during the late 20th century resulting in new generation 3D image datasets that are being used in the 21st century in innovative formats for teaching and learning anatomy.

Graphs and networks in chemical and biological informatics: past, present and future.

Chemical and biological network analysis has recently garnered intense interest from the perspective of drug design and discovery. While graph theoretic concepts have a long history in chemistry - predating quantum mechanics - and graphical measures of chemical structures date back to the 1970s, it is only recently with the advent of public repositories of information and availability of high-throughput assays and computational resources that network analysis of large-scale chemical networks, such as protein-protein interaction networks, has become possible. Drug design and discovery are undergoing a paradigm shift, from the notion of 'one target, one drug' to a much more nuanced view that relies on multiple sources of information: genomic, proteomic, metabolomic and so on. This holistic view of drug design is an incredibly daunting undertaking still very much in its infancy. Here, we focus on current developments in graph- and network-centric approaches in chemical and biological informatics, with particular reference to applications in the fields of SAR modeling and drug design. Key insights from the past suggest a path forward via visualization and fusion of multiple sources of chemical network data.

The return of the smiley face.

The iconic, ubiquitous smiley face of the 1960s and 70s represented happiness that could be taken in and felt deeply, even if only for a moment. Today we are in a much different world, one in which the understanding of the value of happiness can seem distant. Talking about "feelings" does not go over well in the board room, in setting workforce management strategies, or in budget discussions. That could all be changing and we may finally be getting the attention of leadership on this long neglected and important topic. The cost and quality implications of an unhappy workforce seem immense. We can keep trying to squeeze more out of our health care workforce or we can invest in their wellbeing and get more out of them.

The old man and the sea urchin genome: theory and data in the work of Eric Davidson, 1969-2006.

Eric Davidson's work from 1969-2006 illustrates a period in the study of gene regulation that marked a transition from the gene to the genome and from theory-driven to data-intensive science. To make sense of this transition, I address Davidson's work during a first, predominantly theoretical, episode and contrast it with a later chapter in his research devoted to sequencing the California purple sea urchin genome and, more recently, to the computerized analysis of sea urchin development. By comparing these two approaches I offer some thoughts on how work configuration and material organization in the study of metazoan gene regulation have changed over the past forty years.

The Systems Biology Graphical Notation.

Circuit diagrams and Unified Modeling Language diagrams are just two examples of standard visual languages that help accelerate work by promoting regularity, removing ambiguity and enabling software tool support for communication of complex information. Ironically, despite having one of the highest ratios of graphical to textual information, biology still lacks standard graphical notations. The recent deluge of biological knowledge makes addressing this deficit a pressing concern. Toward this goal, we present the Systems Biology Graphical Notation (SBGN), a visual language developed by a community of biochemists, modelers and computer scientists. SBGN consists of three complementary languages: process diagram, entity relationship diagram and activity flow diagram. Together they enable scientists to represent networks of biochemical interactions in a standard, unambiguous way. We believe that SBGN will foster efficient and accurate representation, visualization, storage, exchange and reuse of information on all kinds of biological knowledge, from gene regulation, to metabolism, to cellular signaling.

XtalView, protein structure solution and protein graphics, a short history.

From a user's point-of-view we are in the Golden Age of protein crystallographic software. In the past few decades, solving protein structures has gone from a task requiring man-months of effort to a process requiring minutes on an ordinary laptop with no human intervention required. The birth of XtalView coincided with the mainstream use of synchrotron radiation, seleno-Met phasing and it continues to be used in this age of robotic crystallization, Fed-Ex data collection and fully automated structure solution "pipelines". This article is a retrospective history of protein crystallographic computing and a discussion of the current state of the art.

Cyrus Levinthal, the Kluge and the origins of interactive molecular graphics.

In the mid-1960s, a group of scientists at Massachusetts Institute of Technology, led by Cyrus Levinthal, took hold of one of the early interactive graphics terminals and used it to visualize, study and model the structure of proteins and nucleic acids. From this encounter between cutting-edge computer technology and molecular biology emerged the crucial elements for the development of a research-technology field known today as interactive molecular graphics. The following account is not only about how computer graphics technology has literally changed the way scientists view the molecular realm, but also a look at how an epistemic and institutional space was created to integrate this technology into scientific research.