Molecular Science Modelling
نویسنده
چکیده
منابع مشابه
Molecular Modelling and Evaluation of Hidden Information in ABCB11 Gene Mutations
Background: Cholestatic disorders are divided in the extra and intra-hepatic that created due to the severe liver diseases. ABCB11 encodes the bile salt export pump and this gene is mutated in several forms of intrahepatic cholestasis. So far, some molecular features of this gene was studies.Objective: Using a developed web server, we identified high number of rare codons in this gene, and four...
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The present study aims to predict the potential geographic distribution and future expansion of invasive alien lionfish (Pterois miles) with ecological niche modelling along the Mediterranean Sea. The primary data consisted of occurrence points of P. miles in the Mediterranean and marine climatic data layers were collected from global databases. All the used models run 100% su...
متن کاملModelling the catalyst fragmentation pattern in relation to molecular properties and particle overheating in olefin polymerization
A two-dimensional single particle finite element model was used to examine the effects of particle fragmental pattern on the average molecular weights, polymerization rate and particle overheating in heterogeneous Ziegler-Natta olefin polymerization. A two-site catalyst kinetic mechanism was employed together with a dynamic two-dimensional molecular species in diffusion-reaction equation. The i...
متن کاملSOMA2 – open source framework for molecular modelling workflows
During the last five years, we have developed and deployed a molecular modelling workflow environment at the Finnish IT Center for Science CSC. The SOMA2 environment [1-3] is a web server based system offering a framework for integrating molecular modelling applications, including molecular data exchange. SOMA2 allows users to combine software available in the computing system into unique workf...
متن کاملMFD-simulation of surface coatings – an extension to solid/fluid molecular modelling models
Molecular Fragment Dynamics (MFD) is a new method for mesoscopic molecular modelling computer simulations derived from Dissipative Particle Dynamics (DPD) [1]. It can be used to simulate dynamical processes at a microsecond timescale and up to micrometer scales and can handle up to 1.500.000 particles. This unique technique so far has been successfully applied to surfactants, adjuvants, polymer...
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