Structure-Based Drug Design brings together scientists working on different aspects of the subject, demonstrating the necessary collaboration and interdisciplinary approach to this complex area. The focus is on X-ray crystallographic and computational approaches. The general aspects of these approaches are introduced in the first six articles. The remaining articles provide examples of the application of X-ray crystallography, molecular modelling, molecular dynamics, QSAR, database analysis, and homology modelling. The papers cover a wealth of interesting problems in the design of new and enhanced pharmaceuticals.
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First Sentence:
Rational molecular design, whether it is aimed at generating novel Pharmaceuticals, agrochemicals or other bioactives, is at heart a knowledge-based activity. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
thymidylale synthase, receptor flexibility, molecular similarity methods, pentasaccharide domain, taste ligands, energy minimum conformations, experimental crystal structures, docked structures, phosphate binding loop, protein active site, pharmacophore search, influenza virus neuraminidase, miehei lipase, interfacial activation, atomic fluctuations, minimum energy conformations, structure based drug design, catalytic cleft, comparative molecular field analysis, conformational preferences, solvation model, bond connectivities, flexible ligands, glycyrrhizic acid, binding free energy Key Phrases - Capitalized Phrases (CAPs): (learn more)
Kluwer Academic Publishers, Aided Mol, Acta Cryst, New York, Cambridge Structural Database, Nature Struct, Herpes Simplex Virus, Modelling of Ligand Protein Interaction Complexes, Protein Science, Finer Moore, Knowledge Modelling Hierarchy Prediction, Protein Eng, The Progol, Peptide Science, Phenomenological Approaches, Plenum Press, Similarity Indices Conf New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Rational molecular design, whether it is aimed at generating novel Pharmaceuticals, agrochemicals or other bioactives, is at heart a knowledge-based activity. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
thymidylale synthase, receptor flexibility, molecular similarity methods, pentasaccharide domain, taste ligands, energy minimum conformations, experimental crystal structures, docked structures, phosphate binding loop, protein active site, pharmacophore search, influenza virus neuraminidase, miehei lipase, interfacial activation, atomic fluctuations, minimum energy conformations, structure based drug design, catalytic cleft, comparative molecular field analysis, conformational preferences, solvation model, bond connectivities, flexible ligands, glycyrrhizic acid, binding free energy Key Phrases - Capitalized Phrases (CAPs): (learn more)
Kluwer Academic Publishers, Aided Mol, Acta Cryst, New York, Cambridge Structural Database, Nature Struct, Herpes Simplex Virus, Modelling of Ligand Protein Interaction Complexes, Protein Science, Finer Moore, Knowledge Modelling Hierarchy Prediction, Protein Eng, The Progol, Peptide Science, Phenomenological Approaches, Plenum Press, Similarity Indices Conf New!
Books on Related Topics | Concordance | Text Stats Browse Sample Pages:
Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Citations (learn more)
This book cites 29
books:
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cites this book:
- Inductive Logic Programming (Apic Studies in Data Processing) by Stephen Muggleton on page 62, page 151, and page 161
- Hydrogen bonding in biological structures by George A. Jeffrey on page 124
- Nucleic Acids (Methods in Molecular Biology) by John M. Walker in Back Matter
- X-Ray Analysis and the Structure of Organic Molecules by Jack D. Dunitz on page 26
- A Profile of Mathematical Logic (Dover Books on Mathematics) by Howard DeLong on page 161
See all 29 books this book cites
- Reviews in Computational Chemistry, Volume 17 by Kenny B. Lipkowitz in Back Matter
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