Molsoft ICM-Pro 3.9-4

ICM-Pro empowers the biologist or chemist by providing a high-quality protein structure analysis, modeling and docking desktop software environment. You have direct access to sequence and structure databases that allow you to: analyze sequences and alignments, examine protein structures, study drug and binding pockets and ligands, create surfaces , calculate electrostatics, generate mutagenesis, predict ligand binding sites, predict protein-protein interaction sites, perform small molecule and protein-protein docking, and design ligands using the Editor edit interacting ligands.

Features:

• Protein structure analysis. ICM-Pro provides a direct link to the Protein Data Bank (PDB). After downloading a structure, you can analyze it - build a Ramachandran plot, overlay multiple structures, analyze distances and angles, calculate contact and surface areas, display hydrogen bonds, construct the electrostatic surface and calculate the ligand binding pocket.
• ICM Pocket Finder. ICM Pocket Finder is a method for identifying ligand binding sites in any protein, DNA or RNA structure. Protein-ligand binding sites were identified based on grid potential maps of receptor van der Waals interactions and contoured surfaces. The physical properties of the vesicles are then calculated and tabulated and a drug-likeness score is provided. Read more...
• ICM 3D Interactive Editor. Modifying single-chemical interactions within the receptor binding pocket. Modify atoms and groups and see the impact of changes on the ligand binding energy and score. Ligand rebinding and dimerization
• Crystallographic analysis tools. The key to understanding protein structure is to fully appreciate the underlying crystallographic information contained in the PDB file. For example, it is important to understand the entire biological unit of a protein to determine whether crystal-crystal contacts influence the structure, or you may want to contour the electron density to see How many ligands did the crystallographer see in the active site