Discovery Studio Accelrys

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accelrys discovery studio 3.0 benchmarks for ibm system
., service, and manage. Accelrys Discovery Studio is one of the most comprehensive suites of modeling and simulation solutions for drug discovery. This paper provides an updated guideline for Discovery Studio 3.5 on System x3550 M4. as follows: 1) What is new in Discovery Studio 3.5; 2) Performance of Discovery Studio 3.5 on System x3550 M4 servers, and some general guidelines for choosing a proper configuration for Discovery Studio 3.

Language: english
PDF pages: 17, PDF size: 0.45 MB
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discovery studio 1.7: structure-based pharmacophores - accelrys
Language: english
PDF pages: 10, PDF size: 0.18 MB
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discovery studio 1.6
As described in the lecture, MODELER generates a large number of restraints to force a model towards the structure of the templates and to maintain good structure geometry. The restraints are evaluated based on a probability distribution function that is handled much as an energy expression. Hence, it is common to refer to these restraints as PDF energies. At the end of a MODELER refinement, not all restraints are satisfied to the same extent and the PDF Total Energy associated with each residue can be .

Language: english
PDF pages: 45, PDF size: 0.44 MB
Report
discovery studio 1.6
Language: english
PDF pages: 45, PDF size: 0.44 MB
Report
discovery studio 1.6
Language: english
PDF pages: 45, PDF size: 0.44 MB
Report
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