Bioinformatics computational approach

This branch of bioinformatics is concerned with computational approaches to predict and analyse the spatial structure of proteins and nucleic acids. Whereas in many cases the primary sequence uniquely specifies the 3D structure, the specific rules are not well understood, and the protein folding problem remains largely unsolved. Some aspects of protein structure can already be predicted from amino acid content. Secondary structure can be deduced from the primary sequence with statistics or neural networks. When using a multiple sequence alignment, secondary structure can be predicted with an accuracy above 70%. 

Bioinformatics is using computational approaches to solve biomedical problems and to improve the communication, understanding, and management of biomedical information (5). Because of the information overflow, how to integrate biomedical... 

The experimental studies on biopolymer structures are increasingly supplemented by computational approaches. First, it has to be realized that computation is a sine qua non for experimental structure determination by diffraction methods and NMR spectroscopy themselves. In addition, independent computational studies can provide useful information on structure and dynamics of biopolymers not accessible, at least currently, by experiments. With regard to base poiyads there are three fields that have to be mentioned here primarily quantum-chemical studies of nucleic building blocks, MD simulations of medium-sized nucleic acids and structural bioinformatics. 

The computational approaches to predict protein structures from their amino acid sequences can be either empirical or knowledge-based. The former involves calculations of the energetically favorable structures by the use of the parameterized force fields (section 9.2) and the latter performs statistical analysis with references to the existing structures employing ranges of bioinformatic techniques (section 16.5). The comparative structural analysis leads to homologous models, which are then refined by energy minimization. 

Thorsten M, Wiswedel B, Berthold, Michael R (2012) Workflow tools for managing biological and chemical data. In Guha R, Bender A (eds) Computational approaches in chemoinformatics and bioinformatics, pp 179-209... 

Bioinformatics tools involving computer-based statistical analyses are essential for data management and analysis. When a complex biological sample containing thousands of different proteins is analyzed by multifaceted approaches, such as multidimensional protein identification technology, the identification of the proteins in the mixture is extremely complicated. Even multiple peptide identification methods, such as using both MS and... 

Since the arrival of information technology, biochemistry has evolved from an interdisciplinary role to becoming a core program for a new generation of interdisciplinary courses such as bioinformatics and computational biochemistry. A demand exists for an introductory text presenting a unified approach for the combined subjects that meets the need of undergraduate science and biomedical students. 

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