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Protein folding problem: Is it possible to predict the secondary, tertiary and quaternary structure of a polypeptide sequence based solely on the sequence and environmental information? Inverse protein-folding problem: Is it possible to design a polypeptide sequence which will adopt a given structure under certain environmental conditions?
For example, the second-order equation y′′ = −y can be rewritten as two first-order equations: y′ = z and z′ = −y. In this section, we describe numerical methods for IVPs, and remark that boundary value problems (BVPs) require a different set of tools. In a BVP, one defines values, or components of the solution y at more than one ...
Differential equations such as those used to solve real-life problems may not necessarily be directly solvable, i.e. do not have closed form solutions. Instead, solutions can be approximated using numerical methods. Many fundamental laws of physics and chemistry can be formulated as differential equations.
Ab initio quantum chemistry methods attempt to solve the electronic Schrödinger equation given the positions of the nuclei and the number of electrons in order to yield useful information such as electron densities, energies and other properties of the system.
Alligation is an old and practical method of solving arithmetic problems related to mixtures of ingredients. There are two types of alligation: alligation medial, used to find the quantity of a mixture given the quantities of its ingredients, and alligation alternate, used to find the amount of each ingredient needed to make a mixture of a given quantity.
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
When the task is to find the solution that is the best under some criterion, this is an optimization problem. Solving an optimization problem is generally not referred to as "equation solving", as, generally, solving methods start from a particular solution for finding a better solution, and repeating the process until finding eventually the ...
For the equation and initial value problem: ′ = (,), = if and / are continuous in a closed rectangle = [, +] [, +] in the plane, where and are real (symbolically: ,) and denotes the Cartesian product, square brackets denote closed intervals, then there is an interval = [, +] [, +] for some where the solution to the above equation and initial ...
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