Computer-assisted new drug

Computer assisted new drug applications are a class of software that helps users take a drug through trials to application. These CANDA systems generally offer many of the features of trials management software, but assist in the reporting and document generation required for applications. 

ApoCom is a pre-eminent provider of computational tools and services to assist the research community in their quest to identify new DNA coding regions for use in the discovery of new drugs, diagnostics, and the development of enhanced crops. ApoCom Genomics supports companies and researchers active in pharmaceutical, biomedical, agricultural, chemical, and environmental research. 

J. P. Bowen and M. Cory, Computer-assisted drug design, in Encyclopedia of Pharmaceutical Technology, Ja. Swarbrick and J. C. Boylan, eds., Marcel Dekker, Inc., New York (2001). 

B. Kuhn, O. Donini, S. Huo, J. Wang, and P. A. Kollman, MM-PBSA applied to computer-assisted ligand design, in Free Energy Calculations in Rational Drug Design, M. R. Reddy and M. D. Erion, eds., Kluwer/Plenum Press, New York (2001), pp. 243-251. 

Sussman, J. L., Shoham, M., and Harel, M. (1989). In Computer-Assisted Modeling of Receptor-Ligand Interactions Theoretical Aspects and Applications to Drug Design (R. Rein and A. Golombek, eds.), pp. 171-187. Liss, New York. 

H. van de Waterbeemd (1995). Advanced Computer Assisted Techniques in Drug Discovery. New York John Wiley. 

N. Bodor, P. Buchwald, and M.-J. Huang, Computer assisted design of new drugs based on retrometabolic concepts, SAR QSAR Environ. Res. 8 41 (1998). 

Downs, G.M. and Willett, P. Clustering of chemical-structure databases for compound selection. In Advanced Computer-Assisted Techniques in Drug Discovery, Ed. vande Waterbeemd, H., 1994, New York, VCH, pp. 11 1-130. 

My scientific career was guided and complemented by these scientists, and the reasons why my interests are so sparse depend on their enthusiasm and imprinting. However, one thing I have always used in all the problems I have encountered, or in all the procedure I developed. I have always used Molecular Interaction fields to describe the structures of chemical and biological systems. After so may years of work, I m still fascinated by the amount of information they contain. One never finishes to find new ways to extract information from them. Moreover, combining MIE with chemometric tools, is a powerful approach to all the fields of computer assisted drug development. 

Today, many computer programs assist in the investigation of new drug ligand designs, geometry of interactions, and conformational flexibility of the potential ligands. ... 

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