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Record Nr. |
UNINA9910144097903321 |
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Titolo |
Structure-based ligand design [[electronic resource] /] / edited by Klaus Gubernator, Hans-Joachim Böhm |
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Pubbl/distr/stampa |
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Weinheim ; ; New York, : Wiley-VCH, c1998 |
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ISBN |
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1-282-01029-8 |
9786612010293 |
3-527-61217-3 |
3-527-61216-5 |
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Descrizione fisica |
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1 online resource (170 p.) |
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Collana |
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Methods and principles in medicinal chemistry ; ; v. 6 |
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Altri autori (Persone) |
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GubernatorKlaus |
BöhmHans-Joachim |
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Disciplina |
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Soggetti |
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Ligand binding (Biochemistry) |
Pharmaceutical chemistry |
QSAR (Biochemistry) |
Drugs - Design |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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Structure-Based Ligand Design; Preface; List of Contributors; Contents; 1 Rational Design of Bioactive Molecules; 1.1 Introduction; 1.1.1 From Ligand Design to Drug Discovery; 1.2 Source of Structural Information; 1.3 Classes of Therapeutic Agents; 1.4 Protein-Ligand Interaction; 1.4.1 Covalent versus Noncovalent Inhibitors; 1.4.2 Nonbonded Interactions in Protein-Ligand Complexes; 1.4.3 HydrogenBonds; 1.4.4 The Role of Solvent in Polar Protein-Ligand Interactions; 1.4.5 Lipophilic Interactions; 1.4.6 Criteria for Strong Protein-Ligand Interactions |
1.5 Approaches to Structure-Based Ligand Design1.5.1 Ligands Derived from Substrate or Natural Ligand; 1.5.2 Structures Derived from 3D Database Searches; 1.5.3 De-Novo Design of Ligands; 1.6 Methods and Toois used in Structure-Based Ligand Design; 1.7 Outlook and Future Developments; References; 2 Examples of Active Areas of Structure-Based-Design; 2.1 Thrombin Inhibitors; 2.2 Design of Orally Active |
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