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Protein motion plays a crucial role in many functional processes, including substrate entry into catalytic sites, allosteric conformational changes, and enzymatic reactions. Proteins perform their biological functions by changing their shape and interactions, and gaining their motion is challenging. With the support of our advanced protein engineering platform established for many years, Creative BioMart is dedicated to developing computational tools to predict functionally relevant protein conformations and macromolecular motions. Our scientists provide you with a comprehensive customized therapeutic protein functional motion analysis service to analyze targeted protein functional motion, controlling and modulating protein activity and interactions in pathophysiological settings.
Proteins often adopt multiple conformations and can bind structurally distinct molecules. Many functions of proteins are accomplished through conformational changes in their structure, so protein mootion plays an important role in protein function, from transmitting energy flow and allosteric signals to shuttling proteins through biased routes on the energy landscape for folding and catalysis . In general, experimental studies of protein motion (e.g. X-ray crystallography, cryo-electron microscopy (cryo-EM), NMR, small angle scattering) are time-consuming. Therefore, it is of great significance to use computational methods to simulate, model and analyze protein motion. Based on the existing experimental structures, various computational methods such as molecular dynamics and modal analysis have been widely used in the study of complex biological problems such as protein folding, protein transformation pathways, signal transduction, and enzymatic catalysis.
Fig 1. Principle of the elastic network model method. (Grudinin S, et al., 2020 )
Computational simulations of protein dynamics play an important role in deciphering protein function in modern structural biology. Creative BioMart has successfully constructed a simple and easy elastic network model to study protein movement. We applied this model to the study of various protein dynamics problems and compared it with experimental data, achieving remarkable results in protein motion, modeling, and analysis. In addition, our scientists employ a variety of advanced computational methods to study protein motion, including lattice models, energy minimization, molecular dynamics monte carlo methods.
Generally all programs that describe the motion of proteins require knowledge of the precise positions of atoms. The advantage of elastic network models is that they can reliably describe the conformational flexibility of proteins in the absence of amino acid sequences and atomic coordinates. First, when modeling, treat proteins as elastic objects. The motion is secondly determined from the low-resolution electron density map by an elastic deformation model. This approach helps you improve your ability to study protein movement in structural biology. In addition, it has a wide range of applications in related fields such as bioinformatics, structural genomics, and proteomics.
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We will be glad to discuss details of intended interaction studies with you and develop experimental strategies/methods tailored to your requirement. Our customer service representatives are enthusiastic and trustworthy 24 hours a day, Monday to Friday. If you are interested in our services, please do not hesitate to contact us for more information or to discuss in detail.
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