Virtual screening : principles, challenges, and practical guidelines /

A comprehensive and up-to-date overview, this is both a desktop reference and practical guide for virtual screening applications in drug discovery. Clearly divided into three major sections, the first on principles provides a detailed description of the methods required for and applied in virtual sc...

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Bibliographic Details
Other Authors: Sotriffer, Christoph
Format: Electronic eBook
Language:English
Published: Weinheim, Germany : Wiley-VCH, ©2011.
Series:Methods and principles in medicinal chemistry ; v. 48.
Subjects:
Online Access:CONNECT

MARC

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505 0 0 |t Virtual screening for lead discovery /  |r Yat T. Tang and Garland R. Marshall --  |t Computer-aided drug discovery and development /  |r Shuxing Zhang --  |t Using active site mapping and receptor-based pharmacophore tools : prelude to docking and de novo/fragment-based ligand design /  |r Ashutosh Tripathi, J. Andrew Surface, and Glen E. Kellogg --  |t Methods for evaluation of structural and biological properties of antiinvasive natural products /  |r Mudit Mudit [and others] --  |t Solid-phase peptide synthesis using microwave irradiation /  |r Justin K. Murray, Jennifer Aral, and Les P. Miranda --  |t Fluorescent and lanthanide labeling for ligand screens, assays, and imaging /  |r Jatinder S. Josan [and others] --  |t DNA-directed assembly microarray for protein and small molecule inhibitor screening /  |r Ng Jin Kiat [and others] --  |t Selection of peptide ligands for human placental transcytosis systems using in vitro phage display /  |r Saleem Basha, Shruthi Vaidhyanathan, and GIovanni M. Pauletti --  |t Optimization of the tetrazolium dye (MTT) colorimetric assay for cellular growth and viability /  |r Paul W. Sylvester --  |t Imaging NF-KB signaling in mice for screening anticancer drugs /  |r Delira Robbins and Yunfeng Zhao --  |t Evaluation of anticancer agents using flow cytometry analysis of cancer stem cells /  |r Vineet Gupta, Qian-Jin Zhang, and Yong-Yu Liu --  |t Chemical screening with zebrafish embryos /  |r Hanbing Zhong and Shuo Lin --  |t iTRAQ labeling coupled with LC-MALDI mass spectrometry for monitoring temporal response of colorectal cancer cells to butyrate treatment /  |r Hwee Tong Tan [and others] --  |t Heterotypic cell adhesion assay for the study of cell adhesion inhibition /  |r Seetharama D. Satyanarayanajois, Sharon Ronald, and Jining Liu --  |t Evaluation of antibacterial activity of proteins and peptides using a specific animal model for wound healing /  |r Ramar Perumal Samy [and others] --  |t In vitro immunogenicity risk assessment of therapeutic proteins in preclinical setting /  |r Punett Gaitonde and Sathy V. Balu-Iyer. 
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520 |a A comprehensive and up-to-date overview, this is both a desktop reference and practical guide for virtual screening applications in drug discovery. Clearly divided into three major sections, the first on principles provides a detailed description of the methods required for and applied in virtual screening, while the second discusses the most important challenges in order to improve the impact and success of virtual screening. Finally, the third, practical part contains several case studies covering the most important scenarios for new drug discovery, accompanied by general guidelines for the entire workflow of virtual screening studies. Throughout, medicinal chemists from academia, as well as from large and small pharmaceutical companies report on their experience and pass on priceless practical advice on how to make best use of these powerful methods. Unique in its focus on the end user, this is a real "how to" book that does not presuppose prior experience in virtual screening or a background in computational chemistry. 
546 |a English. 
650 0 |a High throughput screening (Drug development)  |x Computer simulation. 
650 0 |a QSAR (Biochemistry) 
700 1 |a Sotriffer, Christoph. 
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