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Molsoft ICM-Pro v3.9-4 x64

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ICM-Pro可以使生物学家或化学家快速访问高品质的互动式3D视图的结构数据库。在短短的几秒钟内,用户可以浏览数百个感兴趣的化合物并加载它们的结构,可以对序列进行结构分析(保守区或突变),三维结构的构建,研究药物和蛋白或者是蛋白-蛋白的对接,可以研究表面的静电或者是疏水性。


x64 | File Size: 1.88 GB

Description
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 supported
Space:1 GB of disk space and
Memory:2Gb or more of RAM4Gb is a good default.
GPU:GeForce models are good if you do not plan to use hardware stereo.

Molsoft ICM-Pro v3.9-3a (x64)

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