Enables virtual ligand screening (VLS). VISCANA allows to classify structurally similar ligand molecules that could not bind a receptor. The algorithm is also applicable to interaction analysis by a classical force field and enables high-throughput analysis. It was used to analyze the results of a docking study of nine synthesized antagonists, eight 2-amino-4, 6- diarylpyridines30 and 4-hydroxytamoxifen, to hERRα.
Collaborative Research Center of Frontier Simulation Software for Industrial Science, Institute of
Industrial Science, University of Tokyo, Tokyo, Japan; Revolutionary Simulation Software (RSS21) Project, Collaborative Research Center of Frontier Simulation Software for Industrial Science, Institute of Industrial Science, University of Tokyo, Tokyo, Japan; Mizuho Information & Research Institute, Inc., Tokyo, Japan; AdvanceSoft Corporation, Center for Collaborative Research, University of Tokyo, Tokyo, Japan; Institute of Health Biosciences, University of Tokushima, Tokushima, Japan; Division of Safety Information on Drug, Food and Chemicals, National Institute of Health Sciences, Tokyo, Japan
VISCANA funding source(s)
Supported primarily by the Revolutionary Simulation Software (RSS21) project operated by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) and partially by the Core Research for Evolutional Science and Technology (CREST) project of the Japan Science and Technology Agency (JST) and the Toxicoproteomics project fund from the Ministry of Health, Labour and Welfare.