Identification of Ligand Binding Sites of Proteins Using the Gaussian Network Model

The nonlocal nature of the protein-ligand binding problem is investigated via the Gaussian Network Model with which the residues lying along interaction pathways in a protein and the residues at the binding site are predicted. The predictions of the binding site residues are verified by using several benchmark systems where the topology of the unbound protein and the bound protein-ligand complex are known. Predictions are made on the unbound protein. Agreement of results with the bound complexes indicates that the information for binding resides in the unbound protein. Cliques that consist of three or more residues that are far apart along the primary structure but are in contact in the folded structure are shown to be important determinants of the binding problem. Comparison with known structures shows that the predictive capability of the method is significant

Mediterranean-climate streams and rivers: geographically separated but ecologically comparable freshwater systems

Streams and rivers in mediterranean-climate regions (med-rivers in med-regions) are ecologically unique, with flow regimes reflecting precipitation patterns. Although timing of drying and flooding is predictable, seasonal and annual intensity of these events is not. Sequential flooding and drying, coupled with anthropogenic influences make these med-rivers among the most stressed riverine habitat worldwide. Med-rivers are hotspots for biodiversity in all med-regions. Species in med-rivers require different, often opposing adaptive mechanisms to survive drought and flood conditions or recover from them. Thus, metacommunities undergo seasonal differences, reflecting cycles of river fragmentation and connectivity, which also affect ecosystem functioning. River conservation and management is challenging, and trade-offs between environmental and human uses are complex, especially under future climate change scenarios. This overview of a Special Issue on med-rivers synthesizes information presented in 21 articles covering the five med-regions worldwide: Mediterranean Basin, coastal California, central Chile, Cape region of South Africa, and southwest and southern Australia. Research programs to increase basic knowledge in less-developed med-regions should be prioritized to achieve increased abilities to better manage med-rivers

Chemical evolution of shallow groundwater as recorded by springs, Sagehen basin; Nevada County, California

Springs in Sagehen basin, California, were used to document the effect of chemical weathering on the chemical evolution and composition of groundwater in a high elevation catchment. Geochemical tracer ages were determined with chlorofluorocarbons (CFCs) and tritium/3 He dating techniques. The spring water ages range from less than 5 years to almost 40 years. Mass balance calculations performed by NETPATH were combined with spring water ages to calculate chemical weathering rates observed throughout the basin, which range from 0.0116 to 0.0018 and from 0.0036 to 0.0006 mmol 1-1 year-1, for plagioclase and hornblende, respectively. Major cation concentrations, pH, and spring water conductivity were found to correlate positively (R2 = 0.7) with spring water age. This suggests that shallow groundwater, as represented by the springs, is a chemically evolving system. © 2001 Elsevier Science B.V. All rights reserved