Molsoft ICM-Pro 3.9-4 (x64) | 1.9 GB
ICM-Pro通过提供高质量的蛋白质结构分析、建模和对接桌面软件环境,为生物学家或化学家提供支持。您可以直接访问序列和结构数据库,该数据库允许您:分析序列和比对,检查蛋白质结构,研究口袋和结合的配体和药物,创建表面,计算静电,进行突变,预测配体结合位点,预测蛋白质 - 蛋白质相互作用位点,执行小分子和蛋白质 - 蛋白质对接以及使用交互式配体编辑器设计配体。 蛋白质结构分析。ICM-Pro提供与蛋白质数据库(PDB)的直接链接。下载结构后,您可以分析结构 - 构建Ramachandran图,叠加多个结构,分析距离和角度,计算接触和表面积,显示氢键,构建静电表面并计算配体结合口袋。ICM-Pro empowers a biologist or chemist by providing a high quality protein structure analysis, modeling, and docking desktop software environment. You have direct access to sequence and structural databases which allows you to: analyze sequences and alignments, inspect protein structure, study pockets and bound ligands and drugs, create surfaces, calculate electrostatics, make mutations, predict ligand binding sites, predict protein-protein interaction sites, perform small molecule and protein-protein docking and design ligands using the Interactive Ligand Editor. Protein Structure Analysis. ICM-Pro provides a direct link to the Protein Data Bank (PDB). Once you have downloaded a structure you can analyse the structure - build Ramachandran plots, superimpose multiple structures, analyse distances and angles, calculate contact and surface areas, display hydrogen bonds, build electrostatic surfaces and calculate ligand binding pockets. ICM Pocket Finder. ICM Pocket Finder is a method which will identify ligand binding sites in any protein, DNA or RNA structure. Protein-ligand binding sites are identified based on the grid potential map of van der Waals interaction of the receptor and the surfaces are contoured. Physical properties of the pockets are then calculated and tabulated and a drug-likeness score is provided. Read more… ICM 3D Interactive Editor. Interactively edit a chemical inside a receptor binding pocket. Modify atoms and groups and see the effect of the changes on ligand binding energy and score. Re-dock and minimize ligand Crystallographic Analysis Tools. The key to understanding a protein structure is to fully evaluate the underlying crystallographic information contained within a PDB file. For example, it is important to understand the full biological unit of a protein to identify if crystal-crystal contacts have influenced the structure or you may want to contour the electron density to see how much of a ligand was seen by the crystallographer in the active site System Requirements:OS:All windows is supportedSpace:1 GB of disk space andMemory:2Gb or more of RAM4Gb is a good default.GPU:GeForce models are good if you do not plan to use hardware stereo. Home Page - https://www.molsoft.com购买后,将显示帖子中所有出售内容。
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