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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...
Structural Bioinformatics
Structural Bioinformatics was the first major effort to show the application of the principles and basic knowledge of the larger field of bioinformatics to questions focusing on macromolecular structure, such as the prediction of protein structure and how proteins carry out cellular functions, and how the application of bioinformatics to these life science issues can improve healthcare by accelerating drug discovery and development. Designed primarily as a reference, the first edition nevertheless saw widespread use as a textbook in graduate and undergraduate university courses dealing with the theories and associated algorithms, resources, and tools used in the analysis, prediction, and the...
Molecular Dynamics and Machine Learning in Drug Discovery
Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.
Protein Allostery in Drug Discovery
The book focuses on protein allostery in drug discovery. Allosteric regulation, ʹthe second secret of lifeʹ, fine-tunes virtually most biological processes and controls physiological activities. Allostery can both cause human diseases and contribute to development of new therapeutics. Allosteric drugs exhibit unparalleled advantages compared to conventional orthosteric drugs, rendering the development of allosteric modulators as an appealing strategy to improve selectivity and pharmacodynamic properties in drug leads. The Series delineates the immense significance of protein allostery—as demonstrated by recent advances in the repertoires of the concept, its mechanistic mechanisms, and ne...
Simulating Knowledge Dynamics in Innovation Networks
The competitiveness of firms, regions and countries greatly depends on the generation, dissemination and application of new knowledge. Modern innovation research is challenged by the need to incorporate knowledge generation and dissemination processes into the analysis so as to disentangle the complexity of these dynamic processes. With innovation, however, strong uncertainty, nonlinearities and actor heterogeneity become central factors that are at odds with traditional modeling techniques anchored in equilibrium and homogeneity. This text introduces SKIN (Simulation Knowledge Dynamics in Innovation Networks), an agent-based simulation model that primarily focuses on joint knowledge creatio...
Parallel Architectures, Algorithms and Programming
This book constitutes the refereed proceedings of the 10th International Symposium on Parallel Architectures, Algorithms and Programming, PAAP 2019, held in Guangzhou, China, in December 2019. The 39 revised full papers and 8 revised short papers presented were carefully reviewed and selected from 121 submissions. The papers deal with research results and development activities in all aspects of parallel architectures, algorithms and programming techniques.
Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Congress on Intelligent Systems
This book is a collection of selected papers presented at the First Congress on Intelligent Systems (CIS 2020), held in New Delhi, India, during September 5–6, 2020. It includes novel and innovative work from experts, practitioners, scientists, and decision-makers from academia and industry. It covers topics such as Internet of Things, information security, embedded systems, real-time systems, cloud computing, big data analysis, quantum computing, automation systems, bio-inspired intelligence, cognitive systems, cyber physical systems, data analytics, data/web mining, data science, intelligence for security, intelligent decision making systems, intelligent information processing, intellige...
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