Mathematical Approaches To Biomolecular Structure And Dynamics

This IMA Volume in Mathematics and its Applications MATHEMATICAL APPROACHES TO BIOMOLECULAR STRUCTURE AND DYNAMICS is one of the two volumes based on the proceedings of the 1994 IMA Sum mer Program on "Molecular Biology" and comprises Weeks 3 and 4 of the four-week program. Weeks 1 and 2 appeared as Volume 81: Genetic Mapping and DNA Sequencing. We thank Jill P. Mesirov, Klaus Schulten, and De Witt Sumners for organizing Weeks 3 and 4 of the workshop and for editing the proceedings. We also take this opportunity to thank the National Institutes of Health (NIH) (National Center for Human Genome Research), the National Science Foundation (NSF) (Biological Instrumen tation and Resources), and the Department of Energy (DOE), whose fi nancial support made the summer program possible. A vner Friedman Robert Gulliver v PREFACE The revolutionary progress in molecular biology within the last 30 years opens the way to full understanding of the molecular structures and mech anisms of living organisms. Interdisciplinary research in mathematics and molecular biology is driven by ever growing experimental, theoretical and computational power. The mathematical sciences accompany and support much of the progress achieved by experiment and computation as well as provide insight into geometric and topological properties of biomolecular structure and processes. This volume consists of a representative sample of the papers presented during the last two weeks of the month-long Institute for Mathematics and Its Applications Summer 1994 Program in Molecular Biology.

Mathematical Approaches to Molecular Structural Biology offers a comprehensive overview of the mathematical foundations behind the study of biomolecular structure. Initial chapters provide an introduction to the mathematics associated with the study of molecular structure, such as vector spaces and matrices, linear systems, matrix decomposition, vector calculus, probability and statistics. The book then moves on to more advanced areas of molecular structural biology based on the mathematical concepts discussed in earlier chapters. Here, key methods such as X-ray crystallography and cryo-electron microscopy are explored, in addition to biomolecular structure dynamics within the context of mathematics and physics. This book equips readers with an understanding of the fundamental principles behind structural biology, providing researchers with a strong groundwork for further investigation in both this and related fields. Includes a detailed introduction to key mathematical principles and their application to molecular structural biology Explores the mathematical underpinnings behind advanced techniques such as X-ray crystallography and Cryo-electron microscopy Features step-by-step protocols that illustrate mathematical and statistical principles for studying molecular structure and dynamics Provides a basis for further investigation into the field of computational molecular biology Includes figures and graphs throughout to visually demonstrate the concepts discussed

This book grew out of the discussions and presentations that began during the Workshop on Emerging and Reemerging Diseases (May 17-21, 1999) sponsored by the Institute for Mathematics and its Application (IMA) at the University of Minnesota with the support of NIH and NSF. The workshop started with a two-day tutorial session directed at ecologists, epidemiologists, immunologists, mathematicians, and scientists interested in the study of disease dynamics. The core of this first volume, Volume 125, covers tutorial and research contributions on the use of dynamical systems (deterministic discrete, delay, PDEs, and ODEs models) and stochastic models in disease dynamics. The volume includes the study of cancer, HIV, pertussis, and tuberculosis. Beginning graduate students in applied mathematics, scientists in the natural, social, or health sciences or mathematicians who want to enter the fields of mathematical and theoretical epidemiology will find this book useful.

This IMA Volume in Mathematics and its Applications MATHEMATICAL APPROACHES FOR EMERGING AND REEMERGING INFECTIOUS DISEASES: MODELS, AND THEORY METHODS is based on the proceedings of a successful one week workshop. The pro ceedings of the two-day tutorial which preceded the workshop "Introduction to Epidemiology and Immunology" appears as IMA Volume 125: Math ematical Approaches for Emerging and Reemerging Infectious Diseases: An Introduction. The tutorial and the workshop are integral parts of the September 1998 to June 1999 IMA program on "MATHEMATICS IN BI OLOGY. " I would like to thank Carlos Castillo-Chavez (Director of the Math ematical and Theoretical Biology Institute and a member of the Depart ments of Biometrics, Statistics and Theoretical and Applied Mechanics, Cornell University), Sally M. Blower (Biomathematics, UCLA School of Medicine), Pauline van den Driessche (Mathematics and Statistics, Uni versity of Victoria), and Denise Kirschner (Microbiology and Immunology, University of Michigan Medical School) for their superb roles as organizers of the meetings and editors of the proceedings. Carlos Castillo-Chavez, es pecially, made a major contribution by spearheading the editing process. I am also grateful to Kenneth L. Cooke (Mathematics, Pomona College), for being one of the workshop organizers and to Abdul-Aziz Yakubu (Mathe matics, Howard University) for serving as co-editor of the proceedings. I thank Simon A. Levin (Ecology and Evolutionary Biology, Princeton Uni versity) for providing an introduction.

Propelled by the success of the sequencing of the human and many related genomes, molecular and cellular biology has delivered significant scientific breakthroughs. Mathematics (broadly defined) continues to play a major role in this effort, helping to discover the secrets of life by working collaboratively with bench biologists, chemists and physicists. Because of its outstanding record of interdisciplinary research and training, the IMA was an ideal venue for the 2007-2008 IMA thematic year on Mathematics of Molecular and Cellular Biology. The kickoff event for this thematic year was a tutorial on Mathematics of Nucleic Acids, followed by the workshop Mathematics of Molecular and Cellular Biology, held September 15--21 at the IMA. This volume is dedicated to the memory of Nicholas R. Cozzarelli, a dynamic leader who fostered research and training at the interface between mathematics and molecular biology. It contains a personal remembrance of Nick Cozzarelli, plus 15 papers contributed by workshop speakers. The papers give an overview of state-of-the-art mathematical approaches to the understanding of DNA structure and function, and the interaction of DNA with proteins that mediate vital life processes.

Machine learning and artificial intelligence increasingly use methodological tools rooted in statistical physics. Conversely, limitations and pitfalls encountered in AI question the very foundations of statistical physics. This interplay between AI and statistical physics has been attested since the birth of AI, and principles underpinning statistical physics can shed new light on the conceptual basis of AI. During the last fifty years, statistical physics has been investigated through new geometric structures allowing covariant formalization of the thermodynamics. Inference methods in machine learning have begun to adapt these new geometric structures to process data in more abstract representation spaces. This volume collects selected contributions on the interplay of statistical physics and artificial intelligence. The aim is to provide a constructive dialogue around a common foundation to allow the establishment of new principles and laws governing these two disciplines in a unified manner. The contributions were presented at the workshop on the Joint Structures and Common Foundation of Statistical Physics, Information Geometry and Inference for Learning which was held in Les Houches in July 2020. The various theoretical approaches are discussed in the context of potential applications in cognitive systems, machine learning, signal processing.

This IMA Volume in Mathematics and its Applications TOPOLOGY AND GEOMETRY IN POLYMER SCIENCE is based on the proceedings of a very successful one-week workshop with the same title. This workshop was an integral part of the 1995-1996 IMA program on "Mathematical Methods in Materials Science." We would like to thank Stuart G. Whittington, De Witt Sumners, and Timothy Lodge for their excellent work as organizers of the meeting and for editing the proceedings. We also take this opportunity to thank the National Science Foun dation (NSF), the Army Research Office (ARO) and the Office of Naval Research (ONR), whose financial support made the workshop possible. A vner Friedman Robert Gulliver v PREFACE This book is the product of a workshop on Topology and Geometry of Polymers, held at the IMA in June 1996. The workshop brought together topologists, combinatorialists, theoretical physicists and polymer scientists, who share an interest in characterizing and predicting the microscopic en tanglement properties of polymers, and their effect on macroscopic physical properties.

In this book, experts in different fields of mathematics, physics, chemistry and biology present unique forms of knots which satisfy certain preassigned criteria relevant to a given field. They discuss the shapes of knotted magnetic flux lines, the forms of knotted arrangements of bistable chemical systems, the trajectories of knotted solitons, and the shapes of knots which can be tied using the shortest piece of elastic rope with a constant diameter.