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CCE
2011
13 years 2 months ago
Computational energy-based redesign of robust proteins
The robustness of a system is a property that pervades all aspects of Nature. The ability of a system to adapt itself to perturbations due to internal and external agents, to agin...
Giovanni Stracquadanio, Giuseppe Nicosia
COMPLIFE
2005
Springer
14 years 1 months ago
Robust Perron Cluster Analysis for Various Applications in Computational Life Science
In the present paper we explain the basic ideas of Robust Perron Cluster Analysis (PCCA+) and exemplify the different application areas of this new and powerful method. Recently, ...
Marcus Weber, Susanna Kube
BMCBI
2011
13 years 2 months ago
A theoretical entropy score as a single value to express inhibitor selectivity
Background: Designing maximally selective ligands that act on individual targets is the dominant paradigm in drug discovery. Poor selectivity can underlie toxicity and side effect...
Joost C. M. Uitdehaag, Guido J. R. Zaman
IIS
2004
13 years 9 months ago
Application of evolutionary computing to conformational analysis
In this paper we report new results concerning use of genetic algorithms in conformational analysis, field of pharmacy related to discovery and design of new drugs. The goal is to ...
Aleksander Wawer, Franciszek Seredynski, Pascal Bo...
CIBCB
2008
IEEE
14 years 2 months ago
Discovering novel cancer therapies: A computational modeling and search approach
— Solid tumors must recruit new blood vessels for growth and maintenance. Discovering drugs that block this tumor-induced development of new blood vessels (angiogenesis) is an im...
Arthur W. Mahoney, Brian G. Smith, Nicholas S. Fla...