Simcenter Culgi's Multiscale Computational Chemistry Simulations Improve Preclinical Drug Testing and Development
Simcenter Culgi's Multiscale Computational Chemistry Simulations
Preclinical trials have encountered challenges such as membrane-crossing efficacy, crystal stability/dissolvability into the appropriate systems, and questions about whether a reaction is caused by genetic or drug interference. Simcenter Culgi is made up of automated fragmentation and parametrization (AFP), dissipative particle dynamics (DPD) based on the Conductor-like Screening Model for realistic Solvents (COSMO-RS), multi-simulation capabilities, and an all-lattice-directional crystal structure.
Some of the benefits of using these tools:
Enhance drug discovery and development in preclinical research
Evaluate the complicated behavior of prospective medication compounds
Provide the essential tools for cell membrane simulations
First calculated approach for exploring crystal agglomeration with one unified notion
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