| Description |
1 online resource (1 PDF (224 pages)) : color illustrations, digital file |
| Contents |
In silico drug discovery and design / Markus A. Lill -- Molecular docking and structure-based virtual screening / Chenzhong Liao, Megan L. Peach, Risheng Yao & Marc C Nicklaus -- Computational fragment-based drug design / Gregory Sliwoski & Edward W. Lowe Jr. -- Comparative modeling and structure prediction : application to drug discovery / Emidio Capriotti -- Advances in molecular dynamics simulations and free-energy calculations relevant for drug design / Nadine Homeyer & Holger Gohlke -- Quantum mechanical applications in drug discovery / Michael P. Mazanetz -- Pharmacophore modeling / Stefan M. Noha & Daniela Schuster -- QSAR in the new millennium / Vijay M. Khedkar & Evans C. Coutinho -- Receptor-dependent QSAR methods / Xialan Dong & Weifan Zheng -- Computational methods based on molecular shape / Elisabet Gregori-Puigjané -- Machine learning and similarity-based virtual screening techniques / Jürgen Bajorath -- In silico absorption, distribution, metabolism and excretion / Prashant S. Kharkar -- Computational models for toxicity prediction / Sandhya Kortagere -- Computational methods for drug target profiling and polypharmacology / Thierry Langer & Sharon D. Bryant -- Integrating structure-and ligand-based approaches for computer-aided drug design / Gregory L. Wilson & Markus A. Lill -- Binding site identification in target proteins / Yi Xiong, Xiaolei Zhu & Daisuke Kihara -- Index |
| Summary |
The sixteen chapters of this book summarize the current status and recent developments in computer-aided drug-design methodology. The book is organized into four sections, with the first dedicated to current methods for identifying potential hits for target proteins and predicting the binding affinity between protein and ligands |
| Notes |
Page 224 is blank |
| Bibliography |
Includes bibliographical references and index |
| Subject |
Drug development.
|
|
Drug Discovery -- methods
|
|
Drug development
|
| Form |
Electronic book
|
| Author |
Lill, Markus A., editor
|
|
Future Science Ltd, publisher
|
| ISBN |
9781909453012 |
|
1909453013 |
|
9781909453005 |
|
1909453005 |
|
