소장자료
LDR | 03940cam a2200337 a 4500 | ||
001 | 0093720905▲ | ||
005 | 20180520003446▲ | ||
008 | 150120s2015 nyua b 001 0deng c▲ | ||
010 | ▼a2015931254▲ | ||
020 | ▼a9781493924851 (alk. paper)▲ | ||
020 | ▼a1493924850 (alk. paper)▲ | ||
020 | ▼a9781493924868 (eBook)▲ | ||
035 | ▼a(KERIS)REF000017972085▲ | ||
040 | ▼aBTCTA▼beng▼cNLM▼dBTCTA▼dYDXCP▼dNUI▼dOCLCF▼dGBVCP▼dDLC▼d221016▲ | ||
042 | ▼anlmcopyc▼alccopycat▲ | ||
082 | 0 | 4 | ▼a615.1/9▼223▲ |
090 | ▼a615.19▼bF811k▲ | ||
245 | 0 | 0 | ▼aFragment-based methods in drug discovery /▼cedited by Anthony E. Klon.▲ |
260 | ▼aNew York :▼bHumana Press,▼c2015.▲ | ||
300 | ▼aix, 230 p. :▼bill. ;▼c27 cm.▲ | ||
490 | 1 | ▼aMethods in molecular biology,▼x1064-3745 ;▼v1289▲ | |
490 | 1 | ▼aSpringer protocols,▼x1949-2448▲ | |
504 | ▼aIncludes bibliographical references and index.▲ | ||
505 | 0 | 0 | ▼tSolvation methods for protein-ligand docking /▼rRachelle J. Bienstock --▼tBinding site druggability assessment in fragment-based drug design /▼rYu Zhou and Niu Huang --▼tGenerating "fragment-based virtual library" using pocket similarity search of ligand-receptor complexes /▼rRaed S. Khashan --▼tVirtual fragment preparation for computational fragment- based drug design /▼rJennifer L. Ludington --▼tFragment library design : using cheminformatics and expert chemists to fill gaps in existing fragment libraries /▼rPeter S. Kutchukian ... [et al.] --▼tProtocol for fragment hopping /▼rKevin B. Teuscher and Haitao Ji --▼tSite identification by ligand competitive saturation (SILCS) simulations for fragment-based drug Design /▼rChristina E. Faller ... [et al.] --▼tComputational fragment-based de novo design protocol guided by ligand efficiency indices (LEI) /▼rÁlvaro Cortés-Cabrera, Federico Gago, and Antonio Morreale --▼tScoring functions for fragment-based drug discovery /▼rJui-Chih Wang and Jung-Hsin Lin --▼tComputational methods for fragment-based ligand design : growing and linking /▼rRachelle J. Bienstock --▼tDesign strategies for computational fragment-based drug design /▼rZenon D. Konteatis --▼tProtein binding site analysis for drug discovery using a computational fragment-based method /▼rJennifer L. Ludington --▼tFragment-based design of kinase inhibitors : a practical guide /▼rJon A. Erickson --▼tDesigning a small molecule erythropoietin mimetic /▼rFrank Guarnieri --▼tDesigning an orally available nontoxic p38 inhibitor with a fragment-based strategy /▼rFrank Guarnieri.▲ |
520 | ▼aThis volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the "Methods in Molecular Biology" series, this work contains the kind of detailed description and implementation advice to encourage success in the lab.Practical and cutting-edge, "Fragment-Based Methodsin Drug Discovery" takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study."--Source other than Library of Congress.▲ | ||
650 | 0 | ▼aDrugs▼xDesign.▲ | |
650 | 0 | ▼aDrug development.▲ | |
650 | 1 | 2 | ▼aDrug Discovery▼xmethods▲ |
700 | 1 | ▼aKlon, Anthony E.▲ | |
830 | 0 | ▼aMIMB ;▼v1289.▲ | |
999 | ▼a김진영▼c김미선▲ |
Fragment-based methods in drug discovery
자료유형
국외단행본
서명/책임사항
Fragment-based methods in drug discovery / edited by Anthony E. Klon.
개인저자
발행사항
New York : Humana Press , 2015.
형태사항
ix, 230 p. : ill. ; 27 cm.
총서사항
서지주기
Includes bibliographical references and index.
내용주기
Solvation methods for protein-ligand docking / Rachelle J. Bienstock -- Binding site druggability assessment in fragment-based drug design / Yu Zhou and Niu Huang -- Generating "fragment-based virtual library" using pocket similarity search of ligand-receptor complexes / Raed S. Khashan -- Virtual fragment preparation for computational fragment- based drug design / Jennifer L. Ludington -- Fragment library design : using cheminformatics and expert chemists to fill gaps in existing fragment libraries / Peter S. Kutchukian ... [et al.] -- Protocol for fragment hopping / Kevin B. Teuscher and Haitao Ji -- Site identification by ligand competitive saturation (SILCS) simulations for fragment-based drug Design / Christina E. Faller ... [et al.] -- Computational fragment-based de novo design protocol guided by ligand efficiency indices (LEI) / Álvaro Cortés-Cabrera, Federico Gago, and Antonio Morreale -- Scoring functions for fragment-based drug discovery / Jui-Chih Wang and Jung-Hsin Lin -- Computational methods for fragment-based ligand design : growing and linking / Rachelle J. Bienstock -- Design strategies for computational fragment-based drug design / Zenon D. Konteatis -- Protein binding site analysis for drug discovery using a computational fragment-based method / Jennifer L. Ludington -- Fragment-based design of kinase inhibitors : a practical guide / Jon A. Erickson -- Designing a small molecule erythropoietin mimetic / Frank Guarnieri -- Designing an orally available nontoxic p38 inhibitor with a fragment-based strategy / Frank Guarnieri.
요약주기
This volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the "Methods in Molecular Biology" series, this work contains the kind of detailed description and implementation advice to encourage success in the lab.Practical and cutting-edge, "Fragment-Based Methodsin Drug Discovery" takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study."--Source other than Library of Congress.
ISBN
9781493924851 (alk. paper) 1493924850 (alk. paper) 9781493924868 (eBook)
청구기호
615.19 F811k
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