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Knowledge Guided Machine Learning
Given their tremendous success in commercial applications, machine learning (ML) models are increasingly being considered as alternatives to science-based models in many disciplines. Yet, these "black-box" ML models have found limited success due to their inability to work well in the presence of limited training data and generalize to unseen scenarios. As a result, there is a growing interest in the scientific community on creating a new generation of methods that integrate scientific knowledge in ML frameworks. This emerging field, called scientific knowledge-guided ML (KGML), seeks a distinct departure from existing "data-only" or "scientific knowledge-only" methods to use knowledge and d...
The London Cage
The first complete account of the fiercely guarded secrets of London’s clandestine interrogation center, operated by the British Secret Service from 1940 to 1948 Behind the locked doors of three mansions in London’s exclusive Kensington Palace Gardens neighborhood, the British Secret Service established a highly secret prison in 1940: the London Cage. Here recalcitrant German prisoners of war were subjected to “special intelligence treatment.” The stakes were high: the war’s outcome could hinge on obtaining information German prisoners were determined to withhold. After the war, high-ranking Nazi war criminals were housed in the Cage, revamped as an important center for investigati...
Transient Changes in Molecular Geometries and How to Model Them
This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both a convincing validation of the method and significant new insights into the chemical dynamics and molecular determinants of the experimental data. Hence, the method presented in the thesis has the potential to become a very important contribution to the rapidly growing field of femtosecond x-ray science, a trend reflected in the several free-electron x-ray lasers (XFELs) currently being built around the world. Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level. Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.
Bayesian Methods in Structural Bioinformatics
This book is an edited volume, the goal of which is to provide an overview of the current state-of-the-art in statistical methods applied to problems in structural bioinformatics (and in particular protein structure prediction, simulation, experimental structure determination and analysis). It focuses on statistical methods that have a clear interpretation in the framework of statistical physics, rather than ad hoc, black box methods based on neural networks or support vector machines. In addition, the emphasis is on methods that deal with biomolecular structure in atomic detail. The book is highly accessible, and only assumes background knowledge on protein structure, with a minimum of mathematical knowledge. Therefore, the book includes introductory chapters that contain a solid introduction to key topics such as Bayesian statistics and concepts in machine learning and statistical physics.
Hitler's Nest of Vipers
"...presents an excellent and concise narrative of the Abwehr's global intelligence network. West draws from hundreds of firsthand debriefing and summary reports including disclosed sources not previously available to scholars."—American Intelligence Journal Modern historians have consistently condemned the Abwehr, Germany’s military intelligence service, and its SS equivalent, the Sicherheitsdienst (SD), as incompetent and even corrupt organizations. However, newly declassified MI5, CIA and US Counterintelligence Corps files shed a very different light on the structure, control and capabilities of the German intelligence machine in Europe, South America, the Mediterranean and the Middle...
Lloyd's Register of Shipping 1889
The Lloyd's Register of Shipping records the details of merchant vessels over 100 gross tonnes, which are self-propelled and sea-going, regardless of classification. Before the time, only those vessels classed by Lloyd's Register were listed. Vessels are listed alphabetically by their current name.
Protein Interactions
A fundamental guide to the burgeoning field of protein interactions From enzymes to transcription factors to cell membrane receptors, proteins are at the heart of biological cell function. Virtually all cellular processes are governed by their interactions, with one another, with cell bodies, with DNA, or with small molecules. The systematic study of these interactions is called Interactomics, and research within this new field promises to shape the future of molecular cell biology. Protein Interactions goes beyond any existing guide to protein interactions, presenting the first truly comprehensive overview of the field. Edited by two leading scholars in the field of protein bioinformatics, ...
Osteoporosis, Osteoarthritis and Rheumatoid Arthritis: An Agonizing Skeletal Triad
This comprehensive compendium unravels the intricacies of three common and daunting skeletal disorders: osteoporosis, osteoarthritis, and rheumatoid arthritis. These ailments afflict people across all age groups, demanding a deeper understanding of their diagnostic, prognostic, preventive, and therapeutic dimensions. It presents seven key topics written by medical experts that explore research on these diseases: Chronic Lung Disease and Osteoporosis An exploration of the intricate link between chronic lung ailments and osteoporosis. AI Detection of Knee Osteoarthritis Recent use of artificial intelligence aiding knee osteoarthritis identification. Inflammatory Signalling in Rheumatoid Arthri...
Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly
Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Volume 170 in the Progress in Molecular Biology and Translational Science series, provides the most topical, informative and exciting monographs available on a wide variety of research topics. The series includes in-depth knowledge on the molecular biological aspects of organismal physiology, with this release including chapters on Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins, Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers, Enhanced sampling and free energy methods, and much more.
