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Recent Developments on Protein-Ligand Interactions
Protein-ligand interactions play a fundamental role in most major biological functions. The number and diversity of small molecules that interact with proteins, whether naturally or not, can quickly become overwhelming. They are as essential as amino acids, nucleic acids or membrane lipids, enabling a large number of essential functions. One need only think of carbohydrates or even just ATP to be certain. They are also essential in drug discovery. With the increasing structural information of proteins and protein-ligand complexes, molecular modelling, molecular dynamics, and chemoinformatics approaches are often required for the efficient analysis of a large number of such complexes and to p...
Recent Advances in Structural Bioinformatics, 2007
The first mention of the word protein was from a letter sent by Jöns Jakob Berzelius to Gerhardus Johannes Mulder on 10. July 1838, where he wrote: The name protein that I propose for the organic oxide of fibrin and albumin, I wanted to derive from p??te???, [protas meaning of primary importance ] because it appears to be the primitive or principal substance of animal nutrition. A protein is a complex, high-molecular-mass, organic compound that consists of amino acids joined by peptide bonds. Proteins are essential to the structure and function of all living cells and viruses. Different proteins perform a wide variety of biological functions. Some proteins are enzymes, which catalyze chemic...
Bioinformatique - 3e éd.
La bioinformatique est une « interdiscipline » à la frontière de la biologie, de l’informatique et des mathématiques. Elle a pour but d'intégrer des données d’origines très diverses pour modéliser les systèmes vivants afin de comprendre et prédire leurs comportements. Ce livre aborde de manière simple les taches courantes en bioinformatique qu’un biologiste/biochimiste doit savoir traiter par lui-même sans avoir recours au spécialiste. Conçu de manière à faciliter la compréhension des approches, méthodes, algorithmes et implémentations les plus courantes en bioinformatique moléculaire et structurale, cette troisième édition actualisée leur permettra d’éviter les pièges classiques et de répondre aux questions usuelles : comment chercher dans les banques de données biologiques ? Peut-on reconstruire l’histoire évolutive des espèces grâce aux séquences biologiques ? Quelle peut être la fonction d’une protéine ? Comment construire un modèle 3D de protéine ?...
Function and Flexibility: Friend or Foe?
Louis Sullivan (1856 - 1924) revolutionized architecture by designing the first skyscraper and he became famous by proclaiming that “form follows function”. When x-ray crystallographers visualized the structures of proteins for the first time, the structural biology field embraced the view that “function follows form” as the 3D-architecture of proteins could unveil various aspects of their function. Despite the original “1 gene - 1 protein structure - 1 function” relationship, nowadays a far more complicated picture emerges where the flexibility and dynamics of a protein can play a central role in a multitude of functions. The ultimate form(s) that a protein adopt when interactin...
Bioinformatics
The genomic revolution that has spawned microarrays and high throughput technologies has produced vast amounts of complex biological data that require integration and multidimensional analysis. Bioinformatics incorporates sub-disciplines ranging from databases and ontologies to the modelling of complex biological systems by way of molecular evolution and protein structure prediction. This new book provides state-of-the-art research from around the world.
Bioinformatics and Biomedical Engineering
This two volume set LNBI 10208 and LNBI 10209 constitutes the proceedings of the 5th International Work-Conference on Bioinformatics and Biomedical Engineering, IWBBIO 2017, held in Granada, Spain, in April 2017. The 122 papers presented were carefully reviewed and selected from 309 submissions. The scope of the conference spans the following areas: advances in computational intelligence for critical care; bioinformatics for healthcare and diseases; biomedical engineering; biomedical image analysis; biomedical signal analysis; biomedicine; challenges representing large-scale biological data; computational genomics; computational proteomics; computational systems for modeling biological processes; data driven biology - new tools, techniques and resources; eHealth; high-throughput bioinformatic tools for genomics; oncological big data and new mathematical tools; smart sensor and sensor-network architectures; time lapse experiments and multivariate biostatistics.
Automated Optimization Methods for Scientific Workflows in e-Science Infrastructures
Scientific workflows have emerged as a key technology that assists scientists with the design, management, execution, sharing and reuse of in silico experiments. Workflow management systems simplify the management of scientific workflows by providing graphical interfaces for their development, monitoring and analysis. Nowadays, e-Science combines such workflow management systems with large-scale data and computing resources into complex research infrastructures. For instance, e-Science allows the conveyance of best practice research in collaborations by providing workflow repositories, which facilitate the sharing and reuse of scientific workflows. However, scientists are still faced with di...
Introduction to Protein Structure Prediction
A look at the methods and algorithms used to predict protein structure A thorough knowledge of the function and structure of proteins is critical for the advancement of biology and the life sciences as well as the development of better drugs, higher-yield crops, and even synthetic bio-fuels. To that end, this reference sheds light on the methods used for protein structure prediction and reveals the key applications of modeled structures. This indispensable book covers the applications of modeled protein structures and unravels the relationship between pure sequence information and three-dimensional structure, which continues to be one of the greatest challenges in molecular biology. With thi...
