| Description |
1 online resource (xvii, 382 pages) : illustrations. |
| Physical Medium |
polychrome |
| Description |
text file |
| Series |
RSC biomolecular sciences
|
|
RSC biomolecular sciences.
|
| Bibliography |
Includes bibliographical references and index. |
| Contents |
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. |
| Local Note |
eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - North America |
| Subject |
Drugs -- Structure-activity relationships.
|
|
Drugs -- Structure-activity relationships. |
|
Drug development.
|
|
Drug development. |
|
Ligands (Biochemistry)
|
|
Ligands (Biochemistry) |
|
Protein engineering.
|
|
Protein engineering. |
| Genre/Form |
Electronic books.
|
| Subject |
Medication. |
| Added Author |
Stroud, Robert M.
|
|
Finer-Moore, Janet.
|
| Other Form: |
Print version: Computational and structural approaches to drug discovery. Cambridge : RSC Pub., ©2008 9780854043651 (DLC) 2008360811 (OCoLC)124025894 |
| ISBN |
9781847557964 (electronic book) |
|
1847557961 (electronic book) |
|
