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Newlands Press, Future Medicinal Chemistry, 8(5), p. 907-927, 2013

DOI: 10.4155/fmc.13.59

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State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

During the first edition of the Computationally Driven Drug Discovery meeting, held in November 2011 at Dompé Pharma (L’Aquila, Italy), a questionnaire regarding the diffusion and the use of computational tools for drug-design purposes in both academia and industry was distributed among all participants. This is a follow-up of a previously reported investigation carried out among a few companies in 2007. The new questionnaire implemented five sections dedicated to: research group identification and classification; 18 different computational techniques; software information; hardware data; and economical business considerations. In this article, together with a detailed history of the different computational methods, a statistical analysis of the survey results that enabled the identification of the prevalent computational techniques adopted in drug-design projects is reported and a profile of the computational medicinal chemist currently working in academia and pharmaceutical companies in Italy is highlighted.