June 2013
Intermediate to advanced
1088 pages
40h 48m
English
book
23rd European Symposium on Computer Aided Process Engineering
by Andrzej Kraslawski, Ilkka Turunen
Content preview from 23rd European Symposium on Computer Aided Process Engineering
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Structure Based Design of Non-Peptide Mimetics
Robert H. Herring III., J. Colin Haser, Subin Hada and Mario R. Eden, Department of Chemical Engineering, Auburn University, AL 36849, USA
Abstract
The field of systematic structure-based drug design is becoming more promising along with the continuous developments in molecular modeling software and computational hardware. Virtual screening can be performed on vast regions of chemical space while analyzing these structures with increased detail and accuracy. The concept of utilizing small molecules, in place of proteins, that exhibit biological activity towards a given protein target, whether activating or inhibiting, is known as non-peptide mimetics. These mimetics have several advantages over ...
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