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Author: Evgeni Starikov Publisher: CRC Press ISBN: 1000091864 Category : Science Languages : en Pages : 419
Book Description
Professionals recognize entropy-enthalpy compensation as an important factor in molecular recognition, lead design, water networks, and protein engineering. It can be experimentally studied by proper combinations of diverse spectroscopic approaches with isothermal titration calorimetry and is clearly related to molecular dynamics. So, how should we treat entropy-enthalpy compensation? Is it a stubborn hindrance that solely complicates the predictability of phenomena otherwise laid on the line by Mother Nature? How should we then deal with it? This book dwells on these posers. It combines two chapters written by globally recognized specialists. Chapter 1 deals with general issues and suggests a definite approach to how we may answer the posers. Chapter 2 shows how the approach outlined might be successfully applied in a rational design of enzymes. This might provide other interesting strategic perspectives in the general theoretical physical chemistry field.
Author: Evgeni Starikov Publisher: CRC Press ISBN: 1000091864 Category : Science Languages : en Pages : 419
Book Description
Professionals recognize entropy-enthalpy compensation as an important factor in molecular recognition, lead design, water networks, and protein engineering. It can be experimentally studied by proper combinations of diverse spectroscopic approaches with isothermal titration calorimetry and is clearly related to molecular dynamics. So, how should we treat entropy-enthalpy compensation? Is it a stubborn hindrance that solely complicates the predictability of phenomena otherwise laid on the line by Mother Nature? How should we then deal with it? This book dwells on these posers. It combines two chapters written by globally recognized specialists. Chapter 1 deals with general issues and suggests a definite approach to how we may answer the posers. Chapter 2 shows how the approach outlined might be successfully applied in a rational design of enzymes. This might provide other interesting strategic perspectives in the general theoretical physical chemistry field.
Author: John E. Leffler Publisher: Courier Corporation ISBN: 0486151425 Category : Science Languages : en Pages : 496
Book Description
Graduate-level text stresses extrathermodynamic approach to quantitative prediction and constructs a logical framework that encompasses and classifies all known extrathermodynamic relationships. Numerous figures and tables. Author and Subject Indexes.
Author: Gabriel Waksman Publisher: Springer Science & Business Media ISBN: 0387245324 Category : Medical Languages : en Pages : 325
Book Description
Gabriel Waksman Institute of Structural Molecular Biology, Birkbeck and University College London, Malet Street, London WC1E 7HX, United Kingdom Address for correspondence: Professor Gabriel Waksman Institute of Structural Molecular Biology Birkbeck and University College London Malet Street London WC1E 7H United Kingdom Email: g. waksman@bbk. ac. uk and g. waksman@ucl. ac. uk Phone: (+44) (0) 207 631 6833 Fax: (+44) (0) 207 631 6833 URL: http://people. cryst. bbk. ac. uk/?ubcg54a Gabriel Waksman is Professor of Structural Molecular Biology at the Institute of Structural Molecular Biology at UCL/Birkbeck, of which he is also the director. Before joining the faculty of UCL and Birkbeck, he was the Roy and Diana Vagelos Professor of Biochemistry and Molecular Biophysics at the Washington University School of Medicine in St Louis (USA). The rapidly evolving ?eld of protein science has now come to realize the ubiquity and importance of protein–protein interactions. It had been known for some time that proteins may interact with each other to form functional complexes, but it was thought to be the property of only a handful of key proteins. However, with the advent of hi- throughput proteomics to monitor protein–protein interactions at an organism level, we can now safely state that protein–protein interactions are the norm and not the exception.
Author: Ingo Müller Publisher: Springer Science & Business Media ISBN: 3540323805 Category : Mathematics Languages : en Pages : 268
Book Description
Introductory textbook introducing the concept of competition of entropy and energy with various examples. Thermodynamics textbook explaining the roles of entropy and energy as prime movers of nature.
Author: Robert P H Gasser Publisher: World Scientific Publishing Company ISBN: 9813103132 Category : Science Languages : en Pages : 190
Book Description
Statistical thermodynamics plays a vital linking role between quantum theory and chemical thermodynamics, yet students often find the subject unpalatable.In this updated version of a popular text, the authors overcome this by emphasising the concepts involved, in particular demystifying the partition function. They do not get bogged down in the mathematical niceties that are essential for a profound study of the subject but which can confuse the beginner. Strong emphasis is placed on the physical basis of statistical thermodynamics and the relations with experiment. After a clear exposition of the distribution laws, partition functions, heat capacities, chemical equilibria and kinetics, the subject is further illuminated by a discussion of low-temperature phenomena and spectroscopy. The coverage is brought right up to date with a chapter on computer simulation and a final section which ranges beyond the narrow limits usually associated with student texts to emphasise the common dependence of macroscopic behaviour on the properties of constituent atoms and molecules.Since first published in 1974 as ‘Entropy and Energy Levels’, the book has been very popular with students. This revised and updated version will no doubt serve the same needs.
Author: György Keserü Publisher: John Wiley & Sons ISBN: 352733582X Category : Medical Languages : en Pages : 360
Book Description
This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects. Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.
Author: Y. Moroi Publisher: Springer Science & Business Media ISBN: 1489907009 Category : Science Languages : en Pages : 255
Book Description
Almost thirty years ago the author began his studies in colloid chemistry at the laboratory of Professor Ryohei Matuura of Kyushu University. His graduate thesis was on the elimination of radioactive species from aqueous solution by foam fractionation. He has, except for a few years of absence, been at the university ever since, and many students have contributed to his subsequent work on micelle formation and related phenomena. Nearly sixty papers have been published thus far. Recently, in search of a new orientation, he decided to assemble his findings and publish them in book form for review and critique. In addition, his use of the mass action model of micelle has received much criticism, especially since the introduction of the phase separation model. Many recent reports have postulated a role for Laplace pressure in micellization. Although such a hypothesis would provide an easy explanation for micelle formation, it neglects the fact that an interfacial tension exists between two macroscopic phases. The present book cautions against too ready an acceptance of the phase separation model of micelle formation. Most references cited in this book are studies introduced in small group meetings of colloid chemists, the participants at which included Professors M. Saito, M. Manabe, S. Kaneshina, S. Miyagishi, A. Yamauchi, H. Akisada, H. Matuo, M. Sakai, and Drs. O. Shibata, N. Nishikido, and Y. Murata, to whom the author wishes to express his gratitude for useful discussions.
Author: Holger Gohlke Publisher: John Wiley & Sons ISBN: 3527329668 Category : Medical Languages : en Pages : 361
Book Description
Innovative and forward-looking, this volume focuses on recent achievements in this rapidly progressing field and looks at future potential for development. The first part provides a basic understanding of the factors governing protein-ligand interactions, followed by a comparison of key experimental methods (calorimetry, surface plasmon resonance, NMR) used in generating interaction data. The second half of the book is devoted to insilico methods of modeling and predicting molecular recognition and binding, ranging from first principles-based to approximate ones. Here, as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at unresolved challenges, and the strategies to address them. With the content relevant for all drug classes and therapeutic fields, this is an inspiring and often-consulted guide to the complexity of protein-ligand interaction modeling and analysis for both novices and experts.