Drug computer-aided

Aqvist, J., Medina, C., Samuelsson, J. -E. A new method for predicting binding affinity in computer-aided drug design. Prot. Eng. 7 (1994) 385-391... 

Further information about software for computer aided drug design (CADD) is available at the website http //www.netsci.org/Resources/Sojiware/Modeling/CADD/. 

Aqvist J, C Medina and J-E Samuelsson 1994. A New Method for Predicting Binding Affinity Computer-aided Drug Design. Protein Engineering 7 385-391. 

Charifson P S (Editor) 1997. Practical Application of Computer-Aided Drug Design. New York, Dekk.er. 

Martin E J, D C Spellmeyer, R E Critchlow Jr and J M. Blaney 1997. Does Combinatorial Chemistry Obviate Computer-Aided Drug Design In Lipkowitz K B and D B Boyd (Editors) Reviews in Computational Chemistry Volume 10. New York, VCH Publishers, pp. 75-100. 

Computer-Aided Drug Design Methods and Applications T. J. Perun, C. L. Propst, Eds., Dekker, New York (1989). 

L. Balbes, Guide to Rational (Computer-aided) Drug De.dgn is online at http // www.ccl.net/cca/documents/drug.design.shtml... 

Paul D. Lyne Computer Aided Drug Design, Biogen, Inc., Cambridge, Massachusetts... 

Both approaches outlined deliver information that is best used in cycles of medicinal chemistry/computer aided drug design in order to refine the compounds. 

Perun TJ, Props CL, editors. Computer-aided drug design Methods and applications. New York Dekker, 1989. 

Ekins S, Boulanger B, Swaan PW, Hupcey MAZ. Towards a new age of virtual ADME/TOX and multidimensional drug discovery. J Comput Aided Mol Des 2002 16 381-401. 

Oprea TI. Property distributions of drug-related chemical databases. / Comput-Aided Mol Des 2000 14 251-264.55. 

In this chapter, we briefly review various aspects of the chemical information systems used by the chemist for literature and patent searches the field of computer-aided drug design technologies, cheminformatics, as well as other applications. We place special emphases on the ligand-based techniques and only briefly mention the structure-based design technologies. 

Since the late 1980s, computer-aided drug design (CADD) techniques have found wide application in the pharmaceutical and biotech industries. In the... 

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