MATCHING HARDWARE AND SOFTWARE RESOURCES TO ACHIEVE BIOSIS BIOINFORMATIC SYSTEM FOR SIMULATION OF PROTEIN CONFORMATION
Marian BUŢU, Alina BUŢU, Manuela SIDOROFF, Diana GOLEA, Andrei PAUN, Carmen MANOLE
National Institute of Research and Development for Biological Sciences, 0630031, Splaiul Independentei 296, Bucharest, Romania
Abstract. The experiments presented in this work are part of the design and development of a bioinformatics system for research in modeling and simulation of protein conformation. Software packages developed functions such as generation, retrieval and restoration of molecular structures, visualization of structures, calculation and energy minimization, dynamics simulation and optimal conformation searching, calculating molecular properties, superposition and alignment structures, molecular interactions, docking. The bioinformatics system consists of the following hardware resources: simulation server IBM X3950, IBM x3250 as files server, cluster 8*PC 3.2, 5 fixed workstations and a mobile workstation. These hardware equipments are connected in a gigabit local network. On servers are installed IBM management system for X class. On all equipment that is currently in bioinformatics system are installed Linux-based operating systems (Redhat Enterprise Server and Fedora Core) and on the workstations is installed and operating system Windows Professional.