Computational and structural approaches to drug discovery : ligand-protein interactions /: ligand-protein interactions. (©2008)

• Record Type: Book
• Further Information: Note: Edited by Robert M. Stroud and Janet Finer-Moore.
• Other Names: Stroud, Robert M; Finer-Moore, Janet
• 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.
• Publisher Details: Cambridge : Royal Society of Chemistry
• Publication Date: 2008
• Copyright Date: 2008
• Extent: 1 online resource (xvii, 382 pages), illustrations
• Subjects: 615.19; SCIENCE / Biotechnology; Drugs -- Structure-activity relationships; Drug development; Ligands (Biochemistry); Protein engineering; MEDICAL -- Drug Guides; MEDICAL -- Nursing -- Pharmacology; MEDICAL -- Pharmacology; MEDICAL -- Pharmacy; Drug development; Drugs -- Structure-activity relationships; Ligands (Biochemistry); Protein engineering; Pharmaceutical technology; Electronic books
• Languages: English
• ISBNs: 9781847557964; 1847557961
• Notes: Note: Includes bibliographical references and index.; Note: Print version record.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.