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Molecular Modelling
Book is in the Baton Rouge Library (08/14/06).
Molecular Modelling
This book provides a broad, practical introduction to the major techniques employed in molecular modelling and computational chemistry. It leads the reader through the relevant chemical and physical principles to an in-depth understanding of the methods.
An Introduction to Chemoinformatics
This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.
Fundamental Principles of Molecular Modeling
Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applicatio...
What is Architectural History?
What is Architectural History? considers the questions and problems posed by architectural historians since the rise of the discipline in the late nineteenth century. How do historians of architecture organise past time and relate it to the present? How does historical evidence translate into historical narrative? Should architectural history be useful for practicing architects? If so, how? Leach treats the disciplinarity of architectural history as an open question, moving between three key approaches to historical knowledge of architecture: within art history, as an historical specialisation and, most prominently, within architecture. He suggests that the confusions around this question have been productive, ensuring a rich variety of approaches to the project of exploring architecture historically. Read alongside introductory surveys of western and global architectural history, this book will open up questions of perspective, frame, and intent for students of architecture, art history, and history. Graduate students and established architectural historians will find much in this book to fuel discussions over the current state of the field in which they work.
Structure-based Drug Discovery
This book describes some of the most exciting developments for the discovery of new drugs, such as Fragment-based methods. It contains the latest developments in technologies that can be used to obtain the 3-D structures. This book includes experimental approaches using X-ray crystallography and NMR for Fragment-based screening as well as other biophysical methods for studying protein/ligand interactions.
An Introduction to Chemoinformatics
This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.
Molecular Modelling and Drug Design
This book provides a myriad of fresh ideas and energetic approaches to the newer aspects of everyday drug modelling. With contributions from some of the best young talents of today, Molecular Modelling and Drug Design encourages a break from old traditions and probes the unexplored avenues of the modelling tool. The contributors' views act as a gauge to future trends in computer-aided drug design-an area that continues to expand and play an ever more significant role in drug discovery.
The Baroque in Architectural Culture, 1880-1980
In his landmark volume Space, Time and Architecture, Sigfried Giedion paired images of two iconic spirals: Tatlin’s Monument to the Third International and Borromini’s dome for Sant’Ivo alla Sapienza. The values shared between the baroque age and the modern were thus encapsulated on a single page spread. As Giedion put it, writing of Sant’Ivo, Borromini accomplished 'the movement of the whole pattern [...] from the ground to the lantern, without entirely ending even there.' And yet he merely 'groped' towards that which could 'be completely effected' in modern architecture-achieving 'the transition between inner and outer space.' The intellectual debt of modern architecture to moderni...
Gay Guerrilla
A compelling portrait of composer-performer Julius Eastman's enigmatic and intriguing life and music.
