9783330001565 - protein structure prediction and algorithms to minimize docking energy de chatterjee, ayan; roy, uttam kumar (8 resultados)
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Taschenbuch. Condición: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Computational Drug Design is important as it reduces conventional research deadline and cost. Here we have considered structure based drug design where we have identified a protein target and performed optimization study to find a m…olecule or ligand that suitably fits in the target pocket. Different docking strategies are considered to make it more efficient with evolutionary algorithms. Our algorithm assumes a variable length tree structure which represents a drug molecule and arranges essential functional groups in different positions of that drug. Once the geometry of the drug is obtained, its docking energy is minimized. We have also considered several intermolecular forces for more accuracy. Results show that PSO performs better than the earlier methods. We have prepared a set of molecules having energy less than a threshold value. All these molecules are the potential drugs for a particular protein. These set of molecules will help the biologists or pharmacists to choose the best drug for a particular disease with very less effort. We have also incorporated different tool based study and do performance analysis of AutoDock & AutoDock Vina. 228 pp. Englisch.
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Condición: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Chatterjee AyanAyan Chatterjee, ME: Studied Masters of Engineering at Jadavpur University. Senior Software Developer & Designer at Tata Consultancy Services LTD, India.Overseas Experience: TDC & YOUSEE…Projects, Denmark. Research In.
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Taschenbuch. Condición: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Computational Drug Design is important as it reduces conventional research deadline and cost. Here we have considered structure based drug design where we have identified a protein target and performed optimization study to find a molec…ule or ligand that suitably fits in the target pocket. Different docking strategies are considered to make it more efficient with evolutionary algorithms. Our algorithm assumes a variable length tree structure which represents a drug molecule and arranges essential functional groups in different positions of that drug. Once the geometry of the drug is obtained, its docking energy is minimized. We have also considered several intermolecular forces for more accuracy. Results show that PSO performs better than the earlier methods. We have prepared a set of molecules having energy less than a threshold value. All these molecules are the potential drugs for a particular protein. These set of molecules will help the biologists or pharmacists to choose the best drug for a particular disease with very less effort. We have also incorporated different tool based study and do performance analysis of AutoDock & AutoDock Vina.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 228 pp. Englisch.
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Taschenbuch. Condición: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Computational Drug Design is important as it reduces conventional research deadline and cost. Here we have considered structure based drug design where we have identified a protein target and performed optimization study to find a molecu…le or ligand that suitably fits in the target pocket. Different docking strategies are considered to make it more efficient with evolutionary algorithms. Our algorithm assumes a variable length tree structure which represents a drug molecule and arranges essential functional groups in different positions of that drug. Once the geometry of the drug is obtained, its docking energy is minimized. We have also considered several intermolecular forces for more accuracy. Results show that PSO performs better than the earlier methods. We have prepared a set of molecules having energy less than a threshold value. All these molecules are the potential drugs for a particular protein. These set of molecules will help the biologists or pharmacists to choose the best drug for a particular disease with very less effort. We have also incorporated different tool based study and do performance analysis of AutoDock & AutoDock Vina.
