Reviews in computational chemistry; v.22.9780471779384
Reviews in computational chemistry Computational chemistry is a branch of chemistry that uses computers to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. ; v.22.
Ed. by Kenny B. Lipkowitz et al.
Inspired by the efforts to study the human genome The human genome is the genome of Homo sapiens, which is composed of 24 distinct pairs of chromosomes (22 autosomal + X + Y) with a total of approximately 3 billion DNA base pairs containing an estimated 20,000–25,000 genes. in general, and by the Protein Structure Initiative in particular, the contributors of these five papers work to make sense of the wealth of information available by focusing on classification in the broadest sense. They cover protein structure classification itself, including basic principles and protein structure comparisons, comparative protein modeling, including searching for related sequences and structures and refinement of protein models, simulations of protein folding Noun 1. protein folding - the process whereby a protein molecule assumes its intricate three-dimensional shape; "understanding protein folding is the next step in deciphering the genetic code"
folding , including the transition state ensemble for folding, an introduction to numerical methods to simulate ionic charge transport in biological ion channels, including electrostatics electrostatics, study of phenomena associated with charged bodies at rest (see charge; electricity). A charged body has an excess of positive or negative charges, a condition usually brought about by the transfer of electrons to or from the body. , particle-bases simulation, flex-based simulation and hierarchical simulation schemes, and wavelets See wavelet compression.
The elementary building blocks in a mathematical tool for analyzing functions. The functions can be very diverse; examples are solutions of a differential equation, and one- and two-dimensional signals. in chemistry and chemoinformatics.
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