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Computer. Automation --- Pharmacosynthesis. Pharmacochemistry --- Drugs --- Pharmaceutical chemistry --- Computer-aided design --- Structure-activity relationships --- Computer simulation --- Congresses --- Design --- Drugs - Structure-activity relationships - Computer simulation - Congresses --- Drugs - Design - Computer simulation - Congresses --- Pharmaceutical chemistry - Computer simulation - Congresses --- Computer-aided design - Congresses

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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.

Drugs --- X-ray crystallography --- Structure-activity relationships --- Congresses --- Design --- Computer simulation --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Biochemistry. --- Physical Chemistry. --- Theoretical and Computational Chemistry. --- Biochemistry, general. --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Biology --- Chemistry --- Medical sciences --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Composition --- Drugs - Structure-activity relationships - Congresses --- Drugs - Design - Computer simulation - Congresses --- X-ray crystallography - Congresses

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Pharmacosynthesis. Pharmacochemistry --- Biomolecules --- Proteins --- Molecules --- Drugs --- Ligand binding (Biochemistry) --- Biomolécules --- Protéines --- Molécules --- Médicaments --- Ligands (Biochimie) --- Structure --- Computer simulation. --- Models --- Design --- Simulation par ordinateur --- Modèles --- Conception --- Fixation --- Computer simulation --- 539.2 --- -Drugs --- -Ligand binding (Biochemistry) --- -Molecules --- -Proteins --- -#WSCH:AAS2 --- 681.3*D48 --- 681.3*D48 Performance: measurements; modeling and prediction; monitors; operational analysis; queuing theory; simulation; stochastic analysis (Operating systems)--See also {?681.3*C2}; {681.3*D28}; {681.3*I6} --- Performance: measurements; modeling and prediction; monitors; operational analysis; queuing theory; simulation; stochastic analysis (Operating systems)--See also {?681.3*C2}; {681.3*D28}; {681.3*I6} --- Proteids --- Polypeptides --- Proteomics --- Binding, Ligand (Biochemistry) --- Biochemistry --- Dye-ligand affinity chromatography --- Radioligand assay --- Medicaments --- Medications --- Medicine (Drugs) --- Medicines (Drugs) --- Pharmaceuticals --- Prescription drugs --- Bioactive compounds --- Medical supplies --- Pharmacopoeias --- Chemotherapy --- Materia medica --- Pharmacology --- Pharmacy --- Biological molecules --- Molecular biology --- 539.2 Properties and structure of molecular systems --- Properties and structure of molecular systems --- -Computer simulation --- Biomolécules --- Protéines --- Molécules --- Médicaments --- Modèles --- #WSCH:AAS2 --- Structure&delete& --- Design&delete& --- Models&delete& --- Drugs - Design - Computer simulation --- Biomolecules - Structure - Computer simulation --- Proteins - Structure - Computer simulation --- Ligand binding (Biochemistry) - Computer simulation --- Molecules - Models - Computer simulation