This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics.
This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics./a
This book will strengthen the knowledge of mechanistic organic chemistry for organic chemists who have completed a bachelor’s degree and want to start researching in a laboratory or working in a chemical company. Hardly ever does an organic synthesis advance according to plan. Diligently designed synthetic schemes stumble upon the laboratory reality of meagre yields, side reactions, and unwanted products. To fight against that we have a magnificent intellectual tool: reaction mechanisms. In the course of an undergraduate degree, the student assimilates an assortment of unadorned reaction mechanisms, when in professional practice she/he needs to envision convoluted mechanisms resulting from the sequential operation of simple steps. The student here is like the novice chess player who knows how to move the pieces, but not how to play the game. This book facilitates that learning in mechanistic organic chemistry, a fundamental apprenticeship for the preparation of new drugs that save millions of lives.
Kelley's Textbook of Rheumatology delivers the state-of-the-art scientific and clinical know-how you need to offer your patients the most effective diagnosis and care. This rheumatology book’s sweeping updates highlight current advances and breakthroughs that impact your practice. With Kelley's Textbook of Rheumatology, you'll be ready to handle the toughest clinical challenges you face. Search the entire contents online at www.expertconsult.com, download all of images, and watch videos demonstrating the complete musculoskeletal exam, including abnormal findings and the arthroscopic presentation of diseased joints. Review basic science advances and their clinical implications in one place and get dependable, evidence-based guidance with the integrated chapter format that readers of Kelley's Textbook of Rheumatology have always appreciated. Gain a thorough understanding of the "whys" and "hows" of rheumatic disease management with detailed coverage of the very latest breakthroughs and the newest clinical algorithms. Apply the latest therapeutic advances through new chapters in bioengineering and tissue engineering, as well as up-to-date coverage of gout and disease-modifying drugs. Learn how the study of biomarkers across populations can help you detect diseases earlier and with greater accuracy with a new chapter on epigenetics. Diagnose, monitor, and manage rheumatic disease more effectively with expanded information on the use of ultrasound and other imaging modalities.
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