Computational and structural approaches to drug discovery: ligand-protein interactions
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Cambridge
Royal Society of Chemistry
c2008
|
| Schriftenreihe: | RSC biomolecular sciences
|
| Schlagworte: | |
| Online-Zugang: | FAW01 FAW02 Volltext |
| Beschreibung: | Includes bibliographical references and index Facing the wall in computationally based approaches to drug discovery -- The changing landscape in drug discovery -- Purine nucleoside phosphorylase -- Application and limitations of X-ray crystallographic data in structure-guided ligand and drug design -- Dealing with bound waters in a site : do they leave or stay? -- Knowledge-based methods in structure-based design -- Combating drug resistance : identifying resilient molecular targets and robust drugs -- Docking algorithms and scoring functions : state-of-the-art and current limitations -- Application of docking methods to structure-based drug design -- Strength in flexibility : modeling side-chain conformational change in docking and screening -- Avoiding the rigid receptor : side-chain rotamers -- Computational prediction of aqueous solubility, oral bioavailability, P450 activity and hERG channel blockade -- Shadows on screens -- Iterative docking strategies for virtual ligand screening -- Challenges and progresses in calculations of binding free energies : what does it take to quantify electrostatic contributions to protein-ligand interactions? -- Discovery and extrapolation of fragment structures towards drug design -- A link means a lot : disulfide tethering in structure-based drug design -- The impact of protein kinase structures on drug discovery |
| Beschreibung: | 1 Online-Ressource (xvii, 382 p.) |
| ISBN: | 1847557961 9781847557964 |
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| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 615 - Pharmacology and therapeutics |
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| id | DE-604.BV043125351 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:18:12Z |
| institution | BVB |
| isbn | 1847557961 9781847557964 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028549542 |
| oclc_num | 234547793 |
| open_access_boolean | |
| owner | DE-1046 DE-1047 |
| owner_facet | DE-1046 DE-1047 |
| physical | 1 Online-Ressource (xvii, 382 p.) |
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| publishDate | 2008 |
| publishDateSearch | 2008 |
| publishDateSort | 2008 |
| publisher | Royal Society of Chemistry |
| record_format | marc |
| series2 | RSC biomolecular sciences |
| spelling | Computational and structural approaches to drug discovery ligand-protein interactions edited by Robert M. Stroud and Janet Finer-Moore Cambridge Royal Society of Chemistry c2008 1 Online-Ressource (xvii, 382 p.) txt rdacontent c rdamedia cr rdacarrier RSC biomolecular sciences Includes bibliographical references and index Facing the wall in computationally based approaches to drug discovery -- The changing landscape in drug discovery -- Purine nucleoside phosphorylase -- Application and limitations of X-ray crystallographic data in structure-guided ligand and drug design -- Dealing with bound waters in a site : do they leave or stay? -- Knowledge-based methods in structure-based design -- Combating drug resistance : identifying resilient molecular targets and robust drugs -- Docking algorithms and scoring functions : state-of-the-art and current limitations -- Application of docking methods to structure-based drug design -- Strength in flexibility : modeling side-chain conformational change in docking and screening -- Avoiding the rigid receptor : side-chain rotamers -- Computational prediction of aqueous solubility, oral bioavailability, P450 activity and hERG channel blockade -- Shadows on screens -- Iterative docking strategies for virtual ligand screening -- Challenges and progresses in calculations of binding free energies : what does it take to quantify electrostatic contributions to protein-ligand interactions? -- Discovery and extrapolation of fragment structures towards drug design -- A link means a lot : disulfide tethering in structure-based drug design -- The impact of protein kinase structures on drug discovery MEDICAL / Drug Guides bisacsh MEDICAL / Nursing / Pharmacology bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh Drug development fast Drugs / Structure-activity relationships fast Ligands (Biochemistry) fast Protein engineering fast Medizin Drugs Structure-activity relationships Drug development Ligands (Biochemistry) Protein engineering Proteindesign (DE-588)4346801-9 gnd rswk-swf Arzneimittelentwicklung (DE-588)4143176-5 gnd rswk-swf Arzneimitteldesign (DE-588)4278218-1 gnd rswk-swf Ligand Biochemie (DE-588)4606532-5 gnd rswk-swf Arzneimittelentwicklung (DE-588)4143176-5 s Ligand Biochemie (DE-588)4606532-5 s Proteindesign (DE-588)4346801-9 s 1\p DE-604 Arzneimitteldesign (DE-588)4278218-1 s 2\p DE-604 Stroud, Robert M. Sonstige oth Finer-Moore, Janet Sonstige oth http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=496236 Aggregator Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Computational and structural approaches to drug discovery ligand-protein interactions MEDICAL / Drug Guides bisacsh MEDICAL / Nursing / Pharmacology bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh Drug development fast Drugs / Structure-activity relationships fast Ligands (Biochemistry) fast Protein engineering fast Medizin Drugs Structure-activity relationships Drug development Ligands (Biochemistry) Protein engineering Proteindesign (DE-588)4346801-9 gnd Arzneimittelentwicklung (DE-588)4143176-5 gnd Arzneimitteldesign (DE-588)4278218-1 gnd Ligand Biochemie (DE-588)4606532-5 gnd |
| subject_GND | (DE-588)4346801-9 (DE-588)4143176-5 (DE-588)4278218-1 (DE-588)4606532-5 |
| title | Computational and structural approaches to drug discovery ligand-protein interactions |
| title_auth | Computational and structural approaches to drug discovery ligand-protein interactions |
| title_exact_search | Computational and structural approaches to drug discovery ligand-protein interactions |
| title_full | Computational and structural approaches to drug discovery ligand-protein interactions edited by Robert M. Stroud and Janet Finer-Moore |
| title_fullStr | Computational and structural approaches to drug discovery ligand-protein interactions edited by Robert M. Stroud and Janet Finer-Moore |
| title_full_unstemmed | Computational and structural approaches to drug discovery ligand-protein interactions edited by Robert M. Stroud and Janet Finer-Moore |
| title_short | Computational and structural approaches to drug discovery |
| title_sort | computational and structural approaches to drug discovery ligand protein interactions |
| title_sub | ligand-protein interactions |
| topic | MEDICAL / Drug Guides bisacsh MEDICAL / Nursing / Pharmacology bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh Drug development fast Drugs / Structure-activity relationships fast Ligands (Biochemistry) fast Protein engineering fast Medizin Drugs Structure-activity relationships Drug development Ligands (Biochemistry) Protein engineering Proteindesign (DE-588)4346801-9 gnd Arzneimittelentwicklung (DE-588)4143176-5 gnd Arzneimitteldesign (DE-588)4278218-1 gnd Ligand Biochemie (DE-588)4606532-5 gnd |
| topic_facet | MEDICAL / Drug Guides MEDICAL / Nursing / Pharmacology MEDICAL / Pharmacology MEDICAL / Pharmacy Drug development Drugs / Structure-activity relationships Ligands (Biochemistry) Protein engineering Medizin Drugs Structure-activity relationships Proteindesign Arzneimittelentwicklung Arzneimitteldesign Ligand Biochemie |
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