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No additional solvents were required during the structure preparation process.
Ligand structure preparation is an essential step during the setup of virtual screening (VS) experiments.
The target structure preparation caused only small performance differences, typically in favor of MOE.
CADDSuite provides a wide range of tools for structure preparation, docking, QSAR and related topics.
The system was parameterised as described in the Structure Preparation section.
The software is mainly focused on the molecular structure preparation for calculations, taking into account typical user problems.
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Polymerization methods implicated in nano- and/or micro-structure preparation depend on the type of the monomer and polymerization mechanism, emulsion polymerization being probably the most frequently used [5].
Ultra-smooth surfaces from template-stripping procedures can be also used for periodic structures preparation [23], which can induce effects of surface plasmon resonance.
Carbon alloys with diverse structures, preparation methods and properties, are characterized and evaluated specifically from a microscopic point of view, where the structures of carbons and graphite are controlled and designed on an atomic scale.
Far from being something removed from reality, creativity is in fact rooted in the most mundane activity imaginable; endless, repetitive and highly structured preparation.
Program TRITON is a user oriented software with graphical interface that enables visualization of molecular structures, preparation of input files for computational software and analysis of output data.
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