Computational tools for structure-based ligand design
نویسندگان
چکیده
منابع مشابه
Drug Design: Structure- and Ligand-Based Approaches
Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are active areas of research in both the academic and commercial realms. This book provides a current snapshot of the field of computer-aided drug design and associated experimental approaches. Topics covered include x-ray crystallography, nuclear magnetic resonance, fragment-based drug design, free-energy methods, docking a...
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Structure-based computational methods continue to enhance progress in the discovery and refinement of therapeutic agents. Several such methods and their applications are described. These include molecular visualization and molecular modeling, docking, fragment methods, 3-D database techniques, and free-energy perturbation. Related issues that are discussed include the use of simplified potentia...
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Since the invention of the personal computer, digital media has remained separate from the physical world, blocked by a rigid screen. In this paper, we present Beyond, an interface for 3-D design where users can directly manipulate digital media with physically retractable tools and natural hand gestures. When pushed onto the screen, these tools physically collapse and project themselves onto t...
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ژورنال
عنوان ژورنال: Progress in Biophysics and Molecular Biology
سال: 1996
ISSN: 0079-6107
DOI: 10.1016/s0079-6107(97)00005-9