Synopsis
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 molecule 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.
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About the Author
Ayan 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 Interest: Bio-Informatics, Evolutionary Algorithms & Networking.
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Protein Structure Prediction And Algorithms To Minimize Docking Energy
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Taschenbuch. Condition: 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 molecule 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. Seller Inventory # 9783330001565
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Protein Structure Prediction And Algorithms To Minimize Docking Energy
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Protein Structure Prediction And Algorithms To Minimize Docking Energy
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Protein Structure Prediction And Algorithms To Minimize Docking Energy
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Taschenbuch. Condition: Neu. Protein Structure Prediction And Algorithms To Minimize Docking Energy | Ayan Chatterjee (u. a.) | Taschenbuch | 228 S. | Englisch | 2016 | LAP LAMBERT Academic Publishing | EAN 9783330001565 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu. Seller Inventory # 107938458
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Protein Structure Prediction And Algorithms To Minimize Docking Energy
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ISBN 13: 9783330001565
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Taschenbuch. Condition: 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 molecule 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.Books on Demand GmbH, Überseering 33, 22297 Hamburg 228 pp. Englisch. Seller Inventory # 9783330001565
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Protein Structure Prediction And Algorithms To Minimize Docking Energy
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Taschenbuch. Condition: 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 molecule 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. Seller Inventory # 9783330001565