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Title	Drug Design: Structure- and Ligand-Based Approaches
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Drug Design: Structure- and Ligand-Based Approaches

Category: Parenting & Relationships, Lesbian, Gay, Bisexual & Transgender Books, Literature & Fiction
Author: Robert A. Glover, Scott Cawthon
Publisher: William L. Shirer
Published: 2016-07-05
Writer: Mike Michalowicz
Language: Polish, Arabic, Finnish
Format: pdf, Kindle Edition

Drug design - Wikipedia - Ligand-based drug design (or indirect drug design) relies on knowledge of other molecules that bind to the biological target of interest. These other molecules may ...

Computational Methods in Drug Discovery - Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based ...

Drug Design: Structure- and Ligand-Based Approaches | Semantic Scholar - Preface 1. Progress and issues for computationally guided lead discovery and optimization William L. Jorgensen Part I. Structural biology: 2. X-ray crystallography in the service of structure-based drug design Gregory A. Petsko and Dagmar Ringe 3. Fragment-based structure-guided drug discovery: strategy, process, and lessons from human protein kinases Stephen K. Burley, Gavin Hirst, Paul Sprengeler and Siegfried Reich 4. NMR in fragment-based drug discovery Christopher A. Lepre, Peter J. Connolly and Jonathan M. Moore Part II. Computational Chemistry Methodology: 5. Free-energy calculations in structure-based drug design Michael R. Shirts, David L. Mobley and Scott P. Brown 6. Studies of drug resistance and the dynamic behavior of HIV-1 protease through molecular dynamics simulations Fangyu Ding and Carlos Simmerling 7. Docking: a domesday report Martha S. Head 8. The role of quantum mechanics in structure-based drug design Kenneth M. Merz 9. Pharmacophore methods Steven L. Dixon 10. QSAR in drug discovery Al

Structure and Ligand Based Drug Design Strategies in the Development of Novel 5-LOX Inhibitors - Lipoxygenases (LOXs) are non-heme iron containing dioxygenases involved in the oxygenation of polyunsaturated fatty acids (PUFAs) such as arachidonic acid (AA). Depending on the position of insertion of oxygen, LOXs are classified into 5-, 8-, 9-, 12- ...

Drug Design - Structure-based (SBDD) and ligand-based (LBDD) drug design are extremely important and active areas of research in both the academic and ...

De novo drug design: integration of structure-based and ligand-based methods - PubMed - Structure-based and ligand-based methods are used to derive predictive models in de novo drug design. Structure-based methods rely exclusively on prior knowledge of a protein structure to derive novel ligands, while ligand-based methods are traditionally used when no protein structure is available. …

Free-energy calculations in structure-based drug design (Chapter 5) - Drug Design - Drug Design - May 2010

Integrating structure-based and ligand-based approaches for computational drug design - PubMed - Methods utilized in computer-aided drug design can be classified into two major categories: structure based and ligand based, using information on the structure of the protein or on the biological and physicochemical properties of bound ligands, respectively. In recent years there has been a trend t …

Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design - Nov 16, 2018 ... Usually, these computer-assisted efforts integrate ligand- and structure-based drug design strategies (LBDD and SBDD, respectively) with a ...

Layout 1 - May 22, 2012 ... Structure-. (SBDD) and ligand-based drug design (LBDD) approaches bring together the most powerful concepts in modern chemistry and ...

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