Automated docking of peptides and proteins by genetic algorithm
نویسندگان
چکیده
Ž . Genetic algorithm GA combined with random search has been applied to thoroughly search the appropriate associated sites for both peptide and protein complexes. Steric complementarity and energetic complementarity of ligand with its receptor have been separately considered in our two-stage automated docking. Eight complexes have been randomly selected from the Protein Data Bank to test our procedure. Conformations and orientations close to the crystallographically determined Ž . structures are obtained. For most cases, the smallest RMS root mean square of distance of the GA solutions is smaller than 1.0. q 1999 Elsevier Science B.V. All rights reserved.
منابع مشابه
Designing a multi-objective nonlinear cross-docking location allocation model using genetic algorithm
In this study, a cross-docking system is designed at strategic and tactical levels. For making the strategic decisions, a multi-objective nonlinear location allocation model for cross-docks is presented based on a distri-bution location allocation model by Andreas Klose and Andreas Drexl. The model is further developed to in-clude the whole supply chain members and the objective functions are w...
متن کاملTwo phase genetic algorithm for vehicle routing and scheduling problem with cross-docking and time windows considering customer satisfaction
Cross-docking is a new warehousing policy in logistics which is widely used all over the world and attracts many researchers attention to study about in last decade. In the literature, economic aspects has been often studied, while one of the most significant factors for being successful in the competitive global market is improving quality of customer servicing and focusing on customer satisfa...
متن کاملA new memetic algorithm for mitigating tandem automated guided vehicle system partitioning problem
Automated Guided Vehicle System (AGVS) provides the flexibility and automation demanded by Flexible Manufacturing System (FMS). However, with the growing concern on responsible management of resource use, it is crucial to manage these vehicles in an efficient way in order reduces travel time and controls conflicts and congestions. This paper presents the development process of a new Memetic Alg...
متن کاملSupply Chain Scheduling Using a Transportation System Composed of Vehicle Routing Problem and Cross-Docking Approaches
This study considers a combination of cross-docking and vehicle routing problem (VRP) approachesto transport raw material and parts in a supply chain. The supply chain is composed of some supplierswhich are spread in different geographical zones and multiple shared vehicles with different speedsand capacities for transporting orders from the suppliers to a manufacturer. After ...
متن کاملMolecular docking study of Papaver alkaloids to some alkaloid receptors
Background and objectives: More than 40 different alkaloids have been obtained from opium the most important of which are morphine, codeine, papaverine, noscapine and tabaine. Opioid alkaloids produce analgesia by affecting areas of the brain that have peptides with pharmacological pseudo-opioid properties. These alkaloids show important effects on some intracellular peptides l...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 1999