Dynamic Simulation Services in Pune

Molecular Simulation & Dynamic Services

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Molecular dynamics (MD) / Molecular simulation, first developed in the late 70s, has advanced from simulating several hundreds of atoms to systems with biological relevance, including entire proteins in solution with explicit solvent representations, membrane embedded proteins, or large macromolecular complexes like nucleosomes or ribosomes. In other words we can say that Molecular dynamics (MD) is simulation and dynamics studies with interacting atoms and/or molecules. Our Molecular Simulation Service & Dynamic Studies Services are an advantage over real experiments because of high cost, complications or too dangerous to perform. Our molecular simulation and dynamic studies services offer specific application of the technique to three main issues (allosteric regulation, docking, and structure refinement) using various molecular dynamic software and tools with efficient and comprehensive molecular dynamic codes. Molecular Simulation Service & Dynamic services of systems having ∼50,000–100,000 atoms are now routine, and dynamic studies of approximately 500,000 atoms are common when the appropriate computer facilities are available. This remarkable improvement is in large part a consequence of the use of high performance computing (HPC), and the simplicity of the basic MD algorithm Molecular dynamics simulations have evolved into a mature computational technique that can be used effectively to understand macromolecular structure-to-function relationships. Present molecular simulation and dynamic studies are close to biologically relevant ones. Information gathered about the dynamic properties of macromolecules is rich enough to shift the usual paradigm of structural bioinformatics from studying single structures to analyze conformational ensembles.