An overview of algorithms important to computational structural biology that addresses such topics as NMR and design and analysis of proteins.Using the tools of information technology to understand the molecular machinery of the cell offers both challenges and opportunities to computational scientists. Over the past decade, novel algorithms have been developed both for analyzing biological data and for synthetic biology problems such as protein engineering. This book explains the algorithmic foundations and computational approaches underlying areas of structural biology including NMR (nuclear magnetic resonance); X-ray crystallography; and the design and analysis of proteins, peptides, and small molecules. Each chapter offers a concise overview of important concepts, focusing on a key topic in the field. Four chapters offer a short course in algorithmic and computational issues related to NMR structural biology, giving the reader a useful toolkit with which to approach the fascinating yet thorny computational problems in this area. A recurrent theme is understanding the interplay between biophysical experiments and computational algorithms. The text emphasizes the mathematical foundations of structural biology while maintaining a balance between algorithms and a nuanced understanding of experimental data. Three emerging areas, particularly fertile ground for research students, are highlighted: NMR methodology, design of proteins and other molecules, and the modeling of protein flexibility. The next generation of computational structural biologists will need training in geometric algorithms, provably good approximation algorithms, scientific computation, and an array of techniques for handling noise and uncertainty in combinatorial geometry and computational biophysics. This book is an essential guide for young scientists on their way to research success in this exciting field.

This book constitutes the refereed proceedings of the 17th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2013, held in Beijing, China, in April 2013. The 32 revised full papers were carefully reviewed and selected from 167 submissions. The papers cover a wide range of topics including molecular sequence analysis; genes and regulatory elements; molecular evolution; gene expression; biological networks; sequencing and genotyping technologies; genomics; epigenomics; metagenomics; population, statistical genetics; systems biology; computational proteomics; computational structural biology; imaging; large-scale data management.

Robot algorithms are abstractions of computational processes that control or reason about motion and perception in the physical world. Because actions in the physical world are subject to physical laws and geometric constraints, the design and analysis of robot algorithms raise a unique combination of questions in control theory, computational and differential geometry, and computer science. Algorithms serve as a unifying theme in the multi-disciplinary field of robotics. This volume consists of selected contributions to the sixth Workshop on the Algorithmic Foundations of Robotics. This is a highly competitive meeting of experts in the field of algorithmic issues related to robotics and automation.

This book represents the most comprehensive and up-to-date collection of information on the topic of computational molecular biology. Bringing the most recent research into the forefront of discussion, Algorithms in Computational Molecular Biology studies the most important and useful algorithms currently being used in the field, and provides related problems. It also succeeds where other titles have failed, in offering a wide range of information from the introductory fundamentals right up to the latest, most advanced levels of study.

This book presents the outcomes of the 12th International Workshop on the Algorithmic Foundations of Robotics (WAFR 2016). WAFR is a prestigious, single-track, biennial international meeting devoted to recent advances in algorithmic problems in robotics. Robot algorithms are an important building block of robotic systems and are used to process inputs from users and sensors, perceive and build models of the environment, plan low-level motions and high-level tasks, control robotic actuators, and coordinate actions across multiple systems. However, developing and analyzing these algorithms raises complex challenges, both theoretical and practical. Advances in the algorithmic foundations of robotics have applications to manufacturing, medicine, distributed robotics, human–robot interaction, intelligent prosthetics, computer animation, computational biology, and many other areas. The 2016 edition of WAFR went back to its roots and was held in San Francisco, California – the city where the very first WAFR was held in 1994. Organized by Pieter Abbeel, Kostas Bekris, Ken Goldberg, and Lauren Miller, WAFR 2016 featured keynote talks by John Canny on “A Guided Tour of Computer Vision, Robotics, Algebra, and HCI,” Erik Demaine on “Replicators, Transformers, and Robot Swarms: Science Fiction through Geometric Algorithms,” Dan Halperin on “From Piano Movers to Piano Printers: Computing and Using Minkowski Sums,” and by Lydia Kavraki on “20 Years of Sampling Robot Motion.” Furthermore, it included an Open Problems Session organized by Ron Alterovitz, Florian Pokorny, and Jur van den Berg. There were 58 paper presentations during the three-day event. The organizers would like to thank the authors for their work and contributions, the reviewers for ensuring the high quality of the meeting, the WAFR Steering Committee led by Nancy Amato as well as WAFR’s fiscal sponsor, the International Federation of Robotics Research (IFRR), led by Oussama Khatib and Henrik Christensen. WAFR 2016 was an enjoyable and memorable event.

As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.

The delivery of optimal pharmaceutical services to patients is a pivotal concern in the healthcare field. By examining current trends and techniques in the industry, processes can be maintained and improved. Pharmaceutical Sciences: Breakthroughs in Research and Practice provides comprehensive coverage of the latest innovations and advancements for pharmaceutical applications. Focusing on emerging drug development techniques and drug delivery for improved health outcomes, this book is ideally designed for medical professionals, pharmacists, researchers, academics, and upper-level students within the growing pharmaceutical industry.

This book contains selected contributions to WAFR, the highly-competitive meeting on the algorithmic foundations of robotics. They address the unique combination of questions that the design and analysis of robot algorithms inspires.

This book constitutes the refereed proceedings of the 5th International Workshop on Algorithms in Bioinformatics, WABI 2005, held in Mallorca, Spain, in September 2005 as part of the ALGO 2005 conference meetings. The 34 revised full papers presented were carefully reviewed and selected from 95 submissions. All current issues of algorithms in bioinformatics are addressed with special focus on statistical and probabilistic algorithms in the field of molecular and structural biology. The papers are organized in topical sections on expression (hybrid methods and time patterns), phylogeny (quartets, tree reconciliation, clades and haplotypes), networks, genome rearrangements (transposition model and other models), sequences (strings, multi-alignment and clustering, clustering and representation), and structure (threading and folding).