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Theory and Applications of the Empirical Valence Bond Approach
A comprehensive overview of current empirical valence bond (EVB) theory and applications, one of the most powerful tools for studying chemical processes in the condensed phase and in enzymes. Discusses the application of EVB models to a broad range of molecular systems of chemical and biological interest, including reaction dynamics, design of artificial catalysts, and the study of complex biological problems Edited by a rising star in the field of computational enzymology Foreword by Nobel laureate Arieh Warshel, who first developed the EVB approach
Lessons from Plants
An exploration of how plant behavior and adaptation offer valuable insights for human thriving. We know that plants are important. They maintain the atmosphere by absorbing carbon dioxide and producing oxygen. They nourish other living organisms and supply psychological benefits to humans as well, improving our moods and beautifying the landscape around us. But plants don’t just passively provide. They also take action. Beronda L. Montgomery explores the vigorous, creative lives of organisms often treated as static and predictable. In fact, plants are masters of adaptation. They “know” what or who they are, and they use this knowledge to make a way in the world. Plants experience a kin...
Athena Unbound
A clear-eyed examination of the open access movement: past history, current conflicts, and future possibilities. Open access (OA) could one day put the sum of human knowledge at our fingertips. But the goal of allowing everyone to read everything faces fierce resistance. In Athena Unbound, Peter Baldwin offers an up-to-date look at the ideals and history behind OA, and unpacks the controversies that arise when the dream of limitless information slams into entrenched interests in favor of the status quo. In addition to providing a clear analysis of the debates, Baldwin focuses on thorny issues such as copyright and ways to pay for “free” knowledge. He also provides a roadmap that would ma...
Computational Techniques for Analytical Chemistry and Bioanalysis
This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
Coronavirus and Disease Modeling
We shut down our schools, sports, theaters, bars, restaurants, and churches—government ignored the rule of law and put individual rights on hold—but it is more than obvious now that this was all a huge distraction. The focus should have been on the aged with underlying conditions living in nursing homes. The models nowhere included what ended up being our reality, even though that reality was upon us as early as February when people in nursing homes began to die in Washington State. We should have seen it long before the lockdowns began. Now the modelers in the epidemiological profession need to learn what the economists figured out long ago: Human life is too complex to be accurately mo...
Phosphatases
Methods in Enzymology, Volume 607: Phosphatases, the latest release in this ongoing series, highlights new advances in the field as detailed by an international board of authors. This latest release includes chapters on Empirical Valence Bond Simulations of the Evolution of Enzyme Function, QM/MM Free Energy and Kinetic Isotope Analysis of Phosphoryl Transfer in Enzymes, the Structural, Mechanism and Evolution of Phosphatases, How to Define Rapid Motions in Pumping Pyrophosphatases, The Evolution of K+-Independence in Pyrophosphatases, the Crystallization of Michaelis, Intermediate and Inhibited Complexes in Phosphatases, and an Investigation of Nucleotide Loading and Effector Binding of K-Ras. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Methods in Enzymology series Updated release includes the latest information on phosphatases
Advances in Physical Organic Chemistry
Advances in Physical Organic Chemistry, Volume 53, presents the latest reviews of recent work in physical organic chemistry. It provides a valuable source of information that is ideal not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Its hallmark is a quantitative, molecular level understanding of phenomena across a diverse range of disciplines. Chapters in this updated release include Theoretical models for activation and reaction energies in chemical reactions, Chiral induction in asymmetric dual catalysis, and The ...
Computational Approaches to Protein Dynamics
The Latest Developments on the Role of Dynamics in Protein FunctionsComputational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. An international contingent of leading researchers in chemistry, physics, an
Open Knowledge Institutions
The future of the university as an open knowledge institution that institutionalizes diversity and contributes to a common resource of knowledge: a manifesto. In this book, a diverse group of authors—including open access pioneers, science communicators, scholars, researchers, and university administrators—offer a bold proposition: universities should become open knowledge institutions, acting with principles of openness at their center and working across boundaries and with broad communities to generate shared knowledge resources for the benefit of humanity. Calling on universities to adopt transparent protocols for the creation, use, and governance of these resources, the authors draw ...
Polymers in Organic Electronics
Polymers in Organic Electronics: Polymer Selection for Electronic, Mechatronic, and Optoelectronic Systems provides readers with vital data, guidelines, and techniques for optimally designing organic electronic systems using novel polymers. The book classifies polymer families, types, complexes, composites, nanocomposites, compounds, and small molecules while also providing an introduction to the fundamental principles of polymers and electronics. Features information on concepts and optimized types of electronics and a classification system of electronic polymers, including piezoelectric and pyroelectric, optoelectronic, mechatronic, organic electronic complexes, and more. The book is desig...
