Chemical Informatics : Open access


Chemical Informatics : Open access


Chemical Informatics is Insight medical publisher  journal and also one of the most emerging fields in the present scenario. It is a multidisciplinary field which covers the research containing molecular design tools for finding the best fitting compounds which address to particular targets.

Chemical Informatics is a vast field that aims to disseminate information regarding the design, structures, creation, dissemination, visualization and the use of chemical information. Chemical Informatics Journal aims to supply scientists of resources in order to provide the scientific knowledge through the publication of peer-reviewed, high quality, scientific papers and other material on all topics related to Chemical information, Software and databases.

Protein design is the rational design of new protein molecules to design novel activity, behaviour, or purpose, and to advance basic understanding of protein function. Proteins can be designed from scratch (de novo design) or by making calculated variants of a known protein structure and its sequence (termed protein redesign). Rational protein design approaches make protein-sequence predictions that will fold to specific structures. These predicted sequences can then be validated experimentally through methods such as peptide synthesis, site-directed mutagenesis, or artificial gene synthesis.

Rational protein design dates back to the mid-1970s.Recently, however, there were numerous examples of successful rational design of water-soluble and even transmembrane peptides and proteins, in part due to a better understanding of different factors contributing to protein structure stability and development of better computational methods.


The goal in rational protein design is to predict amino acid sequences that will fold to a specific protein structure. Although the number of possible protein sequences is vast, growing exponentially with the size of the protein chain, only a subset of them will fold reliably and quickly to one native state. Protein design involves identifying novel sequences within this subset. The native state of a protein is the conformational free energy minimum for the chain. Thus, protein design is the search for sequences that have the chosen structure as a free energy minimum. In a sense, it is the reverse of protein structure prediction. In design, a tertiary structure is specified, and a sequence that will fold to it is identified. Hence, it is also termed inverse folding. Protein design is then an optimization problem: using some scoring criteria, an optimized sequence that will fold to the desired structure is chosen.


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Chemical Informatics-Open Access