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Drug Design
This book provides a complete snapshot of various experimental approaches to structure-based and ligand-based drug design and is illustrated with more than 200 images.
All the Lovely Children
Charly Bloom’s life took a wrong turn that has left her alone and frustrated. When she gets a call from an old flame, she returns to her hometown to investigate the disappearances of four children. The abductions are eerily similar to a set of previous crimes. Two decades ago, Charly and her three friends decided to play amateur detectives and help find a girl who was stolen from her home. Then, another girl went missing. Clues overlooked by the inept sheriff left only one child to survive: Charly. She managed to fight back and kill the Snatcher. Or so everyone thought… Is the Snatcher back, or is there a copycat? Charly must face her past and her own personal demons in a race against time to save the latest victim.
Molecular Modeling and Prediction of Bioactivity
Much of chemistry, molecular biology, and drug design, are centered around the relationships between chemical structure and measured properties of compounds and polymers, such as viscosity, acidity, solubility, toxicity, enzyme binding, and membrane penetration. For any set of compounds, these relationships are by necessity complicated, particularly when the properties are of biological nature. To investigate and utilize such complicated relationships, henceforth abbreviated SAR for structure-activity relationships, and QSAR for quantitative SAR, we need a description of the variation in chemical structure of relevant compounds and biological targets, good measures of the biological properti...
Drug Design
Structure-based (SBDD) and ligand-based (LBDD) drug design are extremely important and active areas of research in both the academic and commercial realms. This book provides a complete snapshot of the field of computer-aided drug design and associated experimental approaches. Topics covered include X-ray crystallography, NMR, fragment-based drug design, free energy methods, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore methods, computational ADME-Tox, and drug discovery case studies. A variety of authors from academic and commercial institutions all over the world have contributed to this book, which is illustrated with more than 200 images. This is the only book to cover the subject of structure and ligand-based drug design, and it provides the most up-to-date information on a wide range of topics for the practising computational chemist, medicinal chemist, or structural biologist. Professor Kenneth Merz has been selected as the recipient of the 2010 ACS Award for Computers in Chemical & Pharmaceutical Research that recognizes the advances he has made in the use of quantum mechanics to solve biological and drug discovery problems.
As Wings Unfurl
Applegate Bogdanski returns from Vietnam with a missing leg, a Purple Heart, and an addiction to morphine. He stumbles through each day, looking forward to nothing and hoping it will arrive soon. When he attempts to thwart a crime, he is knocked unconscious and wakes up to discover that people are once again calling him a hero, though he feels undeserving of the praise. Apple returns to work and meets Angela, a mysterious woman who claims to be his guardian. Immediately, he feels a connection to her, which morphs into an attraction. But he soon discovers that Angela is much more than she seems. Apple and Angela are swept up in a conspiracy that stretches through time and space. Together, they must fight to save everything they hold dear from an alien race bent on destroying humanity.
Reviews in Computational Chemistry, Volume 27
This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 27 covers brittle fracture, molecular detailed simulations of lipid bilayers, semiclassical bohmian dynamics, dissipative particle dynamics, trajectory-based rare event simulations, and understanding metal/metal electrical contact conductance from the atomic to continuum scales. Also included is a chapter on career opportunities in computational chemistry and an appendix listing the e-mail addresses of more than 2500 people in that discipline. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." —JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." —JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Captain Arnold and Other Tales of the Abnormal
Join Dr. Arthur Doweyko in a mind-boggling excursion into alternate realities with stories designed to stretch your view of our Universe. Robots, angels and ghosts will be your companions as you travel through a life that could have been and struggle to change a life that should not have been. PLUS Enjoy a bonus. His award-winning essay FIVE REASONS TO WONDER An exploration of the meaning of existence through several very curious observations of the world around us.
Reviews in Computational Chemistry, Volume 11
Volume 11 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd The Theme of this Eleventh Volume is Computer-Aided Ligand Design and Modeling of Biomolecules. A Stellar Group of Scientists from Around the World Join in this Volume to Provide Tutorials for Beginners and Experts. Chapters 1 and 2 Take A Detailed Look at De Novo Design Methodologies for Discovering New Ligands which May Become Pharmaceuticals. Chapters 3 and 4 Cover the Methods and Applications of Three-Dimensional Quantitative Structure-Activity Relationships (3D-QSAR) Currently Used in Drug Discovery. Ways to Compute the Correct Lipophilic/Hydrophilic Behavior of Molecules are Taught in Chapter 5. Chapter ...
Cardiac Arrhythmias: New Insights for the Healthcare Professional: 2013 Edition
Cardiac Arrhythmias: New Insights for the Healthcare Professional: 2013 Edition is a ScholarlyBrief™ that delivers timely, authoritative, comprehensive, and specialized information about Additional Research in a concise format. The editors have built Cardiac Arrhythmias: New Insights for the Healthcare Professional: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Additional Research in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Cardiac Arrhythmias: New Insights for the Healthcare Professional: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
