COSMOsim 生命科學軟體-資安軟體/研究分析軟體/心理學軟體/新永資訊有限公司

COSMOsim 生命科學軟體

COSMOsim  生命科學軟體

  • COSMOsim 生命科學軟體
  • 編號
  • 類別
    生化統計分析軟體
  • 介紹
    The COSMO-RS method has proven the σ-profiles as the crucial information for most ADME properties as solubility, blood-brain-partition coefficients, and intestinal absorption, and even for many adsorption phenomena. Considering this fundamental importance of the σ-profiles for surface interactions of molecules in liquid states, they most likely also carry a large part of information required for the estimation of desolvation and binding processes, which are responsible for the inhibition of enzyme receptors by drug molecules. Thus a high similarity with respect to the σ-profiles appears to be
  • 價格

COSMOsim  生命科學軟體

The COSMO-RS method has proven the σ-profiles as the crucial information for most ADME properties as solubility, blood-brain-partition coefficients, and intestinal absorption, and even for many adsorption phenomena. Considering this fundamental importance of the σ-profiles for surface interactions of molecules in liquid states, they most likely also carry a large part of information required for the estimation of desolvation and binding processes, which are responsible for the inhibition of enzyme receptors by drug molecules. Thus a high similarity with respect to the σ-profiles appears to be a necessary condition for drugs of similar physiological action.
Driven by this insight, we have developed a σ-profile based drug similarity measure SMS for the detection of new bioisosteric drug candidates, and a program, COSMOsim, which enables the efficient calculation of this similarity for large libraries, making use of our COSMOfragtechnology. In several examples COSMOsim has already demonstrated its statistical and pharmaceutical plausibility, its practicability for real drug research projects, and its unique independence from the chemical structure which enables scaffold hopping in a natural way.
Despite these initial successes, which clearly proof the significance of the σ-profile similarity for drug similarity and bioisoster screening, we are aware that high SMS similarity cannot be a sufficient condition for drug activity, because no 3D-information is included in this measure. More refined methods combining 3D aspects and SMS similarity are under development – partly in academic collaborations – and will be added to our COSMOsim program during the next one or two years. Nevertheless, even in its present early development stage, COSMOsim should open a novel view to drug similarity, and provide many new and complementary ideas compared to the conventional more structure based similarity search methods.
 

Enzyme Kinetic 酵素動力學資料

EnzFitter is a generic curve-fitting package which has custom features designed to make it especially suitable for analysis of enzyme kinetics experiments. For example, initial rate and parameter values can be obtained with their confidence limits for single and twin substrate rate data. Built-in models include Michaelis-Menten with or without substrate inhibition, competitive, uncompetitive and mixed inhibition, ternary complex or ordered bi-bi systems and ping-pong with and without inhibition by substrates. You can easily add other models in conventional algebraic syntax.

特價0

Enzyme Kinetic 酵素動力學資料
Enzyme Kinetic 酵素動力學資料

BioNumerics 生物類緣關係分析軟體

BioNumerics的特性之一是包含了一個整合了針對於各種現有的生物學數據的分析模塊的關係型數據庫。本系統除了提供了強大的,對輸入數據的類型和大小沒有限制的多用戶的環境,同時提供了現有最先進的對凝膠圖譜,指紋圖譜,序列信息等的分析工具。數據庫裡面的數據記錄,可以是細菌或者是病毒菌株,動物,植物,真菌,或任何器官的指紋圖譜樣本。同時,不同的試驗方法來的樣本也可以定義在同一個數據庫的記錄中。利用本系統,用戶可以對多種試驗數據的不同的記錄之間進行研究比較,並對不同的記錄通過整合進行分類鑑定。

特價0

BioNumerics 生物類緣關係分析軟體
BioNumerics 生物類緣關係分析軟體

ChemOffice

 The latest release of the PerkinElmer desktop scientific productivity suite now offers a streamlined and simplified set of products to satisfy the requirements of researchers, students and faculty involved in chemistry and related subjects. Version 16.0 delivers all the features and functionality found in version 16, in two incremental versions of ChemDraw and one version of ChemOffice with bundles of functionality designed to meet the needs and budgets of everyone who wants to use the leading chemical drawing package and its optional chemically intelligent database, spreadsheet, 3D modeling

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ChemOffice
ChemOffice

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