Enews110 研究資源整合發展中心

出自KMU e-News

e快報期數：第110期 最新消息 ◎ 行政、校務最新動態 研究資源整合發展中心 ● 【HOT新入資源】 ◎ 本中心添購的Mascot蛋白質資料庫系統，目前已經建構完畢，歡迎做完 LC-MS-MS的同仁，可用此系統進行蛋白質身分比對，使用方式跟網路版一模一樣，需要使用者請自本中心設定I D 跟password。 ◎刀鋒式軟體已安裝完程， Accelrys/Discovery Studio Environment 本藥物開發資訊軟體共9套

 ► C2•QSAR+ (or DS QSAR): C2•QSAR+: Comprehensive toolkit with       molecular descriptors and statistical techniques for QSAR applications. Prerequisites: C2.Descriptor+整合分子之各類化學運算子與統計工具作為預測新型藥物之方程式。
 ►C2•Visualizer ( for C2. QSARonly): C2•Visualizer: Comprehensive chemical computing environment. Required core product.軟體核心模組及圖形介面。Visualizer模組爲建構、編輯、顯示三維分子結構模型提供了全面的模擬環境。
 ►DS Modeling Visualizer Pro: DS Modeling Visualizer:  The framework provides integrated 3D molecule views, ligand tables, and hierarchical views of your data. A tool for calculating ligand RMSDs using topological symmetry is also provided.
 ►DS CHARMm Lite
 ►DS Modeling MODELER: DS MODELER: Perform automated protein homology modeling, loop modeling, sequence and structure-based alignments, or build protein mutants.Prerequisites: DS Visualizer Pro
 ►DS LigandFit: Provides docking capabilities previously available in C2.LigandFit. Additional functionality includes full parallelization on all platforms and option to concatenate experiments automatically with in situ ligand minimization using DS CHARMm Lite and scoring using DS LigandScore.
 ►ChemBioOffice:
 ►GOLD軟體: FOR LINUX．A genetic algorithm (GA) for protein-ligand docking. Full ligand flexibility.．Partial protein flexibility, including protein side chain and backbone flexibility for up to ten user-defined residues.．Energy functions partly based on conformational and non-bonded contact information from the CSD.‧A choice of scoring functions: GoldScore, ChemScore and User defined score.‧A variety of constraint options.‧Automatic consideration of cavity bound water molecules.‧Improved handling and control of metal coordination geometries.‧Automatic derivation of GA settings for particular ligands. 
►Accelrys Gene Network Complete
  歡迎有興趣之研究人員，洽詢本中心章順仁組長分機：2773.2370

● 【活動預告】 ◎97.05.09 LSR II高階流式細胞分析儀演講，講題「Application of multicolor Flow cytometer in phospho-protein study 」由美商必帝股份有限公司配合協辦，並由技術員分享使用LSR II測試結果，增進研究人員及教師了解新設備之功能與操作，期能提升使用率。 （以上由研究資源整合發展中心李佳霖提供，單位主管：李昭男主任）