منابع مشابه
Computer Simulation Studies of Minerals
Applications of state-of-the-art computer simulations to important Earthand rock-forming minerals (Al2SiO5 polymorphs, albite (NaAlSi3O8), and MgSiO3 perovskite) are described. Detailed introductions to equations of state and elasticity, phase transitions, computer simulations, and geophysical background are given. A new general classification of phase transitions is proposed, providing a natur...
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Computational resources can be used with higher efficiency if the CPU load is distributed on many computers. A flexible system for task distribution has been designed. Multiple tasks are organized into a queue, and when possible, are sent for execution to idle computers on the network. The CORBA standard is used for control and data sending over the network. An API for the system makes possible...
متن کاملComputer simulation studies of mammalian pyruvate kinase.
Construction of a digital computer model based on measured kinetic constants of the pyruvate kinase reaction is described. A model omitting divalent cation activator is shown to behave in agreement with observation, and is then used to clarify the quantitative role of this enzyme in the control of glycolysis. The reaction velocity may increase by a factor of 2 to 4 on going from aerobic to anae...
متن کاملComputer simulation studies of model biological membranes.
This Account is focused on computer simulation studies of model biological membrane systems with potential applications in biomedical research. In the past decade, classical molecular dynamics has provided novel insights into the properties of model biomembrane systems, including the nature of the DNA-lipid interactions, the effect of pore-forming transmembrane peptides on the lipid environment...
متن کاملComputer Simulation Studies of Abnormal Protein Aggregation
This paper describes computer modelling studies using classical Molecular Dynamics techniques and their derivative methods such as umbrella sampling and coarse grain simulations to study protein behaviour in various environments causing their partial unfolding and aggregation. We present an overview of a series of theoretical studies which provided fundamental insights into the molecular mechan...
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ژورنال
عنوان ژورنال: Bulletin of Materials Science
سال: 1999
ISSN: 0250-4707,0973-7669
DOI: 10.1007/bf02745543