Results 201 to 210 of about 4,705,565 (247)

An Empirical Investigation of Virtual Screening

2013 IEEE International Conference on Systems, Man, and Cybernetics, 2013
Drug discovery relies much on data processing. Virtual screening (VS) is a typical method of drug discovery that exploits chemical structures (molecules) to identify those that are likely to bind to a particular drug target. VS can be turned into either a matching or a classification problem where the quality of the data matters very much.
Amir Ali Rafati-Afshar, Abdelhamid Bouchachia   +1 more
openaire   +2 more sources

Virtual Screening for Kinase Targets

Current Medicinal Chemistry, 2004
Kinases have become a major area of drug discovery and structure-based design. Hundreds of 3D structures for more than thirty different kinases are available to the public. High structural and sequence homology within the kinase gene family makes the remaining kinases ideal targets for homology modeling and virtual screening.
Ingo, Muegge, Istvan J, Enyedy
openaire   +2 more sources

Virtual screening of the estrogen receptor

Expert Opinion on Drug Discovery, 2008
For > 30 years, the estrogen receptor (ER) has been the most important biomarker in breast cancer, principally because of its role in indicating the potential of patients to benefit from endocrine therapy. The search for modulators of ER (selective estrogen receptor modulators) through the use of computational methods such as virtual screening (VS) has
Andrew Js, Knox, Yidong, Yang, David G, Lloyd, Mary J, Meegan   +3 more
openaire   +2 more sources

Virtual Screening Against Obesity

Current Medicinal Chemistry, 2011
The development of novel drugs against obesity is one of the top priorities of worldwide drug research. In recent years, it has been facilitated by the application of virtual screening methods. In this review, we give a short introduction into obesity-related protein targets and computer-aided drug design techniques.
P, Markt, S, Herdlinger, D, Schuster
openaire   +2 more sources

Approaches to Virtual Screening and Screening Library Selection

Current Pharmaceutical Design, 2013
The ease of access to virtual screening (VS) software in recent years has resulted in a large increase in literature reports. Over 300 publications in the last year report the use of virtual screening techniques to identify new chemical matter or present the development of new virtual screening techniques.
openaire   +2 more sources

Novel technologies for virtual screening

Drug Discovery Today, 2004
There are several methods for virtual screening of databases of small organic compounds to find tight binders to a given protein target. Recent reviews in Drug Discovery Today have concentrated on screening by docking and by pharmacophore searching. Here, we complement these reviews by focusing on virtual screening methods that are based on analyzing ...
Lengauer, T., Lemmen, C., Rarey, M., Zimmermann, M.   +3 more
openaire   +3 more sources

Screening for colorectal cancer: virtually there

Medical Journal of Australia, 2005
A national rollout of faecal occult-blood screening, federally funded, is the best approach.
openaire   +2 more sources

The Future of Virtual Compound Screening

Chemical Biology & Drug Design, 2012
We provide a future perspective of the virtual screening field. A number of challenges will be highlighted that virtual screening will likely face when compound data will further grow at or beyond current rates and when much more target information will become available.
Kathrin, Heikamp, Jürgen, Bajorath
openaire   +2 more sources

Synergies of Virtual Screening Approaches

Mini-Reviews in Medicinal Chemistry, 2008
Virtual screening is a knowledge driven approach. Therefore, synergies between different virtual screening methods using information about the drug target as well as about known ligands in combination promise the best results. Finding novel active scaffolds is often a more important success criterion than hit rates of virtual screens.
openaire   +2 more sources

Virtual Screening of Compound Libraries

2009
During the last decade, Virtual Screening (VS) has definitively established itself as an important part of the drug discovery and development process. VS involves the selection of likely drug candidates from large libraries of chemical structures by using computational methodologies, but the generic definition of VS encompasses many different ...
Nuno M F S A, Cerqueira, Sérgio F, Sousa, Pedro A, Fernandes, Maria João, Ramos   +3 more
openaire   +2 more sources