Dynamics is a computational technique refers to the computer stimulation where atoms and molecules are allowed to interact with each other for certain period of time under known law of physics. This technique is an important tool which helps the humans in determination of protein structure predictions.
Total number of patents granted by USPTO for this technique is 5 patents. Some of the patented works are given below.
Patent no: 5,424,963 titled ‘Molecular dynamics simulation method and apparatus’ with the abstract: A computer-assisted method for generating a dynamic model of a molecule is described based on information of the atomic structure. The model data is defined by rigid bodies corresponding to groups of atoms of the molecule with substantially no relative movement between the atoms, flexible bodies corresponding to groups of atoms which are characterized by relative movement between the atoms, and flexure elements which define an interconnection of two of the rigid bodies and the flexible bodies and predetermined degrees of freedom.
Patent no: 6,366,873 titled ‘Dopant profile modeling by rare event enhanced domain-following molecular dynamics’ with the abstract: A computer-implemented molecular dynamics-based process simulates a distribution of ions implanted in a semiconductor substrate. The properties of the semiconductor substrate and ion dose to be simulated are first initialized, including an initial set of splitting depths that contain an equal number of virtual ions implanted in each substrate volume determined by the splitting depths. A first ion with selected velocity is input onto an impact position of the substrate that defines a first domain for the first ion during a first timestep, where the first domain includes only those atoms of the substrate that exert a force on the ion. A first position and velocity of the first ion is determined after the first timestep and a second domain of the first ion is formed at the first position. The first ion is split into first and second virtual ions if the first ion has passed through a splitting interval. The process then follows each virtual ion until all of the virtual ions have come to rest. A new ion is input to the surface and the process repeats until all of the ion dose has been input. The resulting ion rest positions form the simulated implant distribution.
Patent no: 5,915,230 titled ‘Fast methods for simulating biomolecular systems with long-range electrostatic interactions by molecular dynamics’ with the abstract: The invention provides a method for significantly speeding up the molecular dynamics simulation of large heterogeneous molecular assemblies in which there are a very large number of charged groups and in which there are strong and weak bonds. This method makes practicable the simulation of large protein solutions and thus can be used to simulate protein folding and the binding of substrates to protein molecules among other applications.
Patent no: 5,122,745 titled ‘Method and apparatus for determining molecular dynamics of materials’ with the abstract: A method and apparatus for determining the effects of pressure and/or dissolved gas on the molecular dynamics in solids, such as glassy polymers, or gases adsorbed by the solids, involves the use of nuclear magnetic resonance (NMR) spectroscopy wherein a pressure resistant sample cell is combined with an NMR probe which in turn is subjected to a magnetic field, a diffusion gas being injected into the sample cell under varying pressure with resultant NMR spectra being collected and correlated.
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