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Structure-based screening using fully flexible docking is still too slow for large molecular libraries. High quality docking of a million molecule library can take days even on a cluster with hundreds of CPUs. This performance issue prohibits the use of fully flexible docking in the design of large combinatorial libraries. We have developed a fast(More)
In this work, we report the development of a novel QSAR technique combining genetic algorithms and neural networks for selecting a subset of relevant descriptors and building the optimal neural network architecture for QSAR studies. This technique uses a neural network to map the dependent property of interest with the descriptors preselected by the genetic(More)
Disaster victims typically do not request services from the mental health system. Victims must be contacted through innovative outreach programs linked to the disaster relief network. Advance planning for disaster programs by mental health centers is highly desirable, but barriers may be encountered related to (a) external support, (b) information on victim(More)
At the stage of optimization of a chemical series the compounds are normally assayed for binding or inhibition on the target protein as well as on several proteins from a selectivity panel. These proteins are normally identified on the basis of sequence homology to the target protein. Experimental selectivity data are also taken into account if available.(More)
A four-stage model of telephone helping was tested by rating 59 calls to a crisis intervention service. The rating instrument was the Crisis Call Interaction Form, a process measure with 19 behaviors in four categories: establishment of a helpful climate, assessment of the crisis, affect integration, and problem solution. Hypotheses stated that helper(More)
The effect of the level of social competence on the performance of a paired discrimination task involving social censure cues for groups of hospitalized schizophrenics, alcoholics, and normals was investigated. Previous studies finding differences between process and reactive schizophrenics had not controlled for the social competence level of the normal(More)
The purpose of this study was to investigate self-disclosure, emotion-focused, and problem-focused coping styles among men with borderline hypertension and two groups of normotensive men differentiated by parental hypertension. Because blood pressure reactivity may discriminate between hypertensive and normotensive men, subjects in these three groups were(More)
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