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Protease
Research reports from University of Zurich provide new insights into protease
October 7th, 2008
According to recent research from Zurich, Switzerland, "To take into account polarization effects, the linear interaction energy model with continuum electrostatic solvation (LIECE) is supplemented by the linear-scaling semiempirical quantum mechanical calculation of the intermolecular electrostatic energy QMLIECE). QMLIECE and LIECE are compared on three enzymes belonging to different classes: the West Nile virus NS3 serine protease (WNV PR), the aspartic protease of the human immunodeficiency virus (HIV-1 PR), and the human cyclin-dependent kinase 2 (CDK2)." "QMLIECE is superior for 44 peptidic inhibitors of WNV PR because of the different amount of polarization due...
Source: TB & Outbreaks Week (2008-10-07)
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